1 day ago · Properties of Benzene Structure. Molecular Formula CD. This Henry's Law constant indicates that iodobenzene is expected to volatilize from water surfaces (3). The chemical formula for benzene is C6H6, i. Step 1 (Slow) The e- in the pi bond attacks the electrophile. 2. Reactions taking place at this carbon atom are said to occur at the benzylic position. 5 C Water solubility: negligible Specific gravity: 0. Chem. 71-43-2) is an aromatic hydrocarbon compound used extensively in the chemical industry as an intermediate in the manufacture of polymers and other products. [ all data ] Mar 14, 2024 · Visit ChemicalBook To find more Benzene(71-43-2) information like chemical properties,Structure,melting point,boiling point,density,molecular formula,molecular weight, physical properties,toxicity information,customs codes. The benzene molecule is composed of six carbon atoms joined in a planar hexagonal ring with one hydrogen atom attached to each. Aldrich-I7632; Iodobenzene 0. Benzene can only form a single monosubstituted derivative. 0; NIST Polycyclic Aromatic Hydrocarbon Structure Index; Options: Switch to calorie-based Jul 12, 2024 · From the question we can see that benzene has a density = \[0. - Non-standard isotope. ; Takacs J. 084610 Da. 1916; Critical density: Data from NIST Standard Reference Database 69: NIST Chemistry WebBook; Benzene - Density and Specific Weight vs. The general uncertainties of the equations of state are 0. 165 Da. Benzene - Thermophysical properties Chemical, physical and thermal properties of benzene, also called benzol. 52X10-3 atm cu m/mole estimated from an experimental water solubility of 39. These data include the following: Please follow the steps below to select the data required. Other names: [6]Annulene; Benzol; Benzole; Coal naphtha; Cyclohexatriene; Phenyl hydride; Pyrobenzol; Pyrobenzole; Benzolene Benzene - Density and Specific Weight vs. 87g cm-3. Information on this page: Notes; Other data available: Gas phase thermochemistry data Benzene is an organic chemical compound with the molecular formula C 6 H 6. 09\) Å from those carbons. 045g/100g at 30 °C (practically) benzene: miscible chloroform: miscible hydrocarbons: miscible (petr. Other names: Benzene, allyl-; Allylbenzene; 1-Phenyl-2-propene; 1-Propene, 3-phenyl-; 2-Propenylbenzene; 3-Phenyl-1-propene; 3-Phenylpropene Permanent link for this species. Molecular mass: 78. 5% in vapor pressure above the normal boiling point, and increase as the temperature decreases due to a lack of experimental data. In addition, an electrostatic potential map shows that the electron density in all six C–C bonds is identical. 674 K to 750 K Pressure from 0. 08 Fluid Properties; Data at other public NIST sites: Electron-Impact Ionization Cross Sections (on physics web site) Computational Chemistry Comparison and Benchmark Database; Gas Phase Kinetics Database; X-ray Photoelectron Spectroscopy Database, version 5. Sci. 2445 mm Hg(4). ChEBI. Benzene, C 6 H 6, is a planar molecule containing a ring of six carbon atoms, each with a hydrogen atom attached. Its chemical formula is C6H5I. Temperature and Pressure Online calculator, figures and table showing density and specific weight of benzene, C 6 H 6, at temperatures ranging from 5 to 325 °C (42 to 620 °F) at atmospheric and higher pressure - Imperial and SI Units. From x-ray diffraction and spectroscopic measurements, benzene is known to be a planar molecule with six carbons \(1. Monoisotopic mass 106. 7. Monoisotopic mass 134. All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. IUPAC Standard InChIKey:UHOVQNZJYSORNB-UHFFFAOYSA-N Copy. Temperature and Pressure Allylbenzene | C9H10 | CID 9309 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety Ethylbenzene | C8H10 | CID 7500 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety Isobutylbenzene is an alkylbenzene that is benzene carrying an isobutyl substituent. Benzene melts at 5. Information on this page: Notes; Other data available: Condensed phase thermochemistry data; Phase change data Jul 12, 2023 · Benzene, a common organic solvent, is the simplest example of an aromatic compound. Although benzene is most often drawn with three double bonds and three single bonds (Figure \ (\PageIndex {4}\)), it is known that all of the carbon-carbon bonds in benzene are exactly the same length - 1. This causes the e- in the C-H bond to form a C-C double bond and aromaticity is reformed. Benzylic halides undergo the typical reactions of alkyl halides; thus, you can expect to see such compounds used frequently in multistep syntheses. Because benzene's pi 1 molecular orbital has more stabilizing bonding interactions it is lower in energy than the pi 1 molecular orbital of 1,3,5-hexatriene. It is a clear, colourless, volatile, highly flammable liquid with a characteristic odour and a density of 874 kg/m3 at 25 °C (1). alcohol: soluble 10. Benzene, C 6 H 6, is the simplest member of a large family of hydrocarbons, called aromatic hydrocarbons. 38 Å. From benzene make m-bromoaniline: In this reaction three reactions are required. 149 Da. It is a stable molecule that forms a triozonide. Temperature and Pressure Oct 30, 2023 · The other molecular orbitals are almost never drawn. It is highly toxic and is a known carcinogen; exposure to it may cause leukemia. All C–C–C bond angles are 120°, all six carbon atoms are sp 2-hybridized, and each carbon has a p orbital perpendicular to the plane of the six-membered ring. ⦁ It is soluble in organic solvents but immiscible in water. Benzene is a colorless volatile flammable toxic liquid aromatic hydrocarbon C 6 H 6 used in organic synthesis. The pure material, and any solutions containing it, constitute a fire risk. 6 °C (231. In benzene, the atoms are hydrogens. Benzene is 148 kJ/mol (35. Information on this page: Other names: Benzene, ethyl-; Ethylbenzol; EB; Phenylethane; Aethylbenzol; Ethylbenzeen; Etilbenzene; Etylobenzen; NCI-C56393; UN 1175; α-Methyltoluene; NSC 406903 Permanent link for this species. Chemical Properties of Benzene (CAS 71-43-2) InChI ρ l: Liquid Density (kg/m 3). 2445 mm Hg at 25 °C(4) and an Henry's Law constant of 1. 5 kPa to 4906 Properties of Benzene. Specific weight is given as N/m 3 and lb f / ft 3. : 103-73-1; Synonyms: Phenetole; Ethoxybenzene; Ethyl phenyl ether; Linear Formula: C6H5OC2H5; Empirical Formula: C8H10O Physical Properties The chemical formula for benzene is C 6 H 6, and it has a molecular weight of 78. Safe handling Find comprehensive information on (1-Bromoethyl)benzene, including its structure, properties, classification, and safety data on PubChem. Average mass 106. This generates fire and explosion hazard. Thermophysical Properties of Fluid Systems. Use this link for bookmarking this species for future reference. It dissolves only slightly in water and will evaporate to air. LOTUS - the natural products occurrence database. 99; CAS No. Apart from that, the reaction is just the same - using the same nitrating mixture of concentrated CAS Registry Number: 71-43-2. Accurate thermophysical properties are available for several fluids. Relative density (water = 1): 0. Isobutylbenzene is a natural product found in Vaccinium virgatum, Vaccinium ashei, and other organisms with data available. That means that you would use a lower temperature to prevent more than one nitro group being substituted - in this case, 30°C rather than 50°C. The Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others. Benzene is an aromatic hydrocarbon. Aldrich-241989; Ethoxybenzene 0. It is lighter than water. The arenium ion is conjugated but not aromatic. This is why benzene reacts well with electrophiles. , Angular distributions in the photoelectron spectra of benzene and its monohalogenated Other names: Benzene sulfochloride; Benzene sulfonechloride; Benzenesulfonic chloride; Phenylsulfonyl chloride; Benzenesulfonic acid chloride; Benzenosulfochlorek; Benzenosulfochloride; Benzene sulphonyl chloride; NSC 2864 Permanent link for this species. Most of the nitrobenzene produced in the United States is used to manufacture a chemical called aniline. 40 μg. We know that benzene has a planar hexagonal structure in which all the carbon atoms are sp 2 hybridized, and all the carbon-carbon bonds are equal in length. Benzene. 5 ppb. Some values are approximate. Iodobenzene is an aryl iodide and the simplest of the iodobenzenes, consisting of a benzene ring substituted with one iodine atom. The chemical formula of benzene is C 6 H 6, consisting of six carbon atoms and six hydrogen atoms. 046951 Da. 3 ± 0. Monoisotopic mass 84. Because it contains only carbon and hydrogen atoms, benzene is classed as a hydrocarbon. Figure 15. Organic compounds that contain a cyclic carbon ring with the same bonding system as in benzene are called aromatic compounds. ChemSpider ID 7219. The molecular formula of benzene, C6H6 demonstrates a high degree of unsaturation. (1-Bromoethyl)benzene has been employed: in controlled radical polymerization of styrene; in asymmetric esterification of benzoic acid in the presence of a chiral cyclic guanidine; as initiator in the synthesis of bromine terminated polyp-methoxystyrene and polystyrene via atom transfer radical polymerization Jul 31, 2021 · Some of the Unusual Properties of Benzene. 4g/100g at 25 °C diethyl ether: soluble 71. 112. The following table provides a comprehensive list of benzene properties in both SI and US customary/Imperial units at normal temperature and pressure (NTP). 11 g/mol. 1) A nitration. 06 mm Hg (1), and water solubility, 340 mg/L (2). A webpage that provides information about the molecular weight and chemical structure of Benzene, ethoxy-. , 1969, 1, 273. 8 Volatilization from Water / Soil. , Methods and Apparatus Used at the Bureau of Physicochemical Standards XV. Note: Benzene at 25 °C | density: 873. 877gm{L^{ - 1}}\] Now we have to calculate the molecular mass of benzene \[ = 6 \times 12 + 6 \times 1 = 78\] - The above calculated molecular volume of benzene can be used to determine the molar volume of the liquid benzene, which is given by Notes. Six hydrogen atoms, one associated with each carbon, are located \(1. Attacks plastics and rubber. Molecular Formula CH. It has a density of 0. Please see the following for information about the library and its accompanying search program. Formula: C 6 H 6. The carbon atoms are represented by a corner that is bonded to other atoms. 3) A bromination. 1,4-Diisopropylbenzene | C12H18 | CID 7486 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities . Advanced search Similarity search. 3 15. 4 kcal/mol) more stable than might be expected for “cyclohexatriene. ChemSpider ID 7088. Benzene is an aromatic compound. Online calculator, figures and table showing density and specific weight of benzene, C 6 H 6, at temperatures ranging from 5 to 325 °C (42 to 620 °F) at atmospheric and higher pressure - Imperial and SI Units. 1 US gallon of benzene weighs 7. Benzene is characterized by its stability and resistance to addition reactions, typical of alkenes, because of its aromaticity. 109543 Da. ) Toluene ( / ˈtɒl. It is an indication of the presence of three double bonds. Monoisotopic mass 78. 5 days ago · Benzene is a colourless Compound, and the physical state of Benzene is liquid. 88. It is a volatile colorless liquid, although aged samples appear yellowish. Herein, a strategy of controlling electron density on amino of 2,5-diaminoterephthalates is proposed to modulate their dual-state emission, acidichromism, Cu 2+ detection, and lipid droplets benzene: Formula: C 6 H 6: Molar Mass: Density (Gas) as a function of Temperature and Pressure Temperature from 278. Benzene has a moderate boiling point and a high melting point. 64 ± 0. M. It is also a common atmospheric contaminant and is present in motor vehicle exhaust emissions and cigarette smoke. Temperature. Thermodyn. 81 kg/m³. benzene: Formula: C 6 H 6: Molar Mass: Density (Gas) as a function of Temperature and Pressure Temperature from 278. In alkylbenzenes, the carbon atom which is attached to the aromatic ring is particularly reactive. You can also browse global suppliers,vendor,prices,Price,manufacturers of Benzene(71-43-2). Simon, 1957 Simon, M. 18. 1. e it has 6 hydrogen- H atoms and six-carbon atoms and has an average mass of about 78. IUPAC Standard InChIKey: MVPPADPHJFYWMZ-UHFFFAOYSA-N Copy CAS Registry Number: 108-90-7 Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file Other names: β-Phenethyl chloride; β-Phenylethyl chloride; (β-Chloroethyl)benzene; (2-Chloroethyl)benzene; Phenethyl chloride; 1-Chloro-2-phenylethane; 2-Phenyl-1-chloroethane; 2-Phenylethyl chloride; NSC 27886 Permanent link for this species. It has an Aromatic odour. Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript . Contact Technical Service. It is useful as a synthetic intermediate in organic chemistry. 218 Da. Benzene (CAS Registry Number 71-43-2; C6H6; molecular weight 78. (40 μg/m3) in the air and exposure of 1 hour per day, daily benzene intake from driving or riding in a motor vehicle is estimated to be. 3: A comparison of the heats of hydrogenation for cyclohexene, 1,3-cyclohexadiene, and benzene. Information on this page: Mass spectrum (electron ionization) References; Notes In practice, 1,3-cyclohexadiene is slightly more stable than expected, by about 2 kcal, presumably due to conjugation of the double bonds. Of the nitro, bromine, and amine group, only the nitro group is meta direction. 3g/100g at 25 °C water: insoluble 0. The six carbon atoms form a perfectly regular hexagon. 2922979 pounds precisely. Eng. Phase diagram included. 078247 Da. Mortality was observed in one rat at 3000 mg/kg, 2 rats at 3400 mg/kg and 9 rats at 3800 mg/kg body weight; the LD50 value was calculated to be 3503 mg/kg t-Butylbenzene. ɒl, - ɔːl, - oʊl / ), is a substituted aromatic hydrocarbon [15] with the chemical formula C6H5CH3, often abbreviated as PhCH3, where Ph stands for phenyl group. Benzene, however, is an extraordinary 36 kcal/mole more stable than expected. This gives benzene the additional aromatic stability not seen in the acyclic 1,3,5-hexatriene. 1°F), and hence, t oluene must be pressurized to remain liquid at higher temperatures than that. [ all data ] Hudson and Van Winkle, 1969 Volatilization of (2-bromoethyl)benzene is expected from moist and dry soils based on an experimental vapor pressure of 0. Further evidence for the unusual nature of benzene is that all its carbon–carbon bonds have the same length—139 pm, which is Industrial uses. 1 °C. The various properties of benzene are mentioned below: Benzene is immiscible in water but soluble in organic solvents. Average mass 134. 8%; CAS Number: 71-43-2; EC Number: 200-753-7; find Sigma-Aldrich-401765 MSDS, related peer-reviewed papers , The thermodynamic properties of solutions of normal and branched alcohols in benzene and n-hexane. Average mass 84. [ all data ] Hudson and Van Winkle, 1969 The six-carbon ring organic chemical compound benzene imparts unique properties. 1: K: AVG: N/A: Average of 147 out of 183 values; Individual data points Quantity Value Units Method Reference Comment; T fus: 278. , Some thermodynamic properties of bromobenzene from 0 Kupperman, A. The density of Benzene is 0. Step 2 (Fast) The LPE on a base attacks the hydrogen. 29 ( ~ 7 1 / 4) pounds. ju. National Institute of Standards and Technology Benzene, propyl-Formula: C 9 H 12; Molecular weight: 120. A few benzene properties are mentioned below: ⦁ Benzene is a colorless liquid and has an aromatic odor. 4X10-4 atm-cu m/mole (SRC) derived from its vapor pressure, 1. The output density is given as kg/m 3, lb/ft 3, lb/gal (US liq) and sl/ft 3 . May 15, 2024 · Developing novel single-benzene fluorophores with facile synthesis, bright and tunable dual-state emissions, and diversified functions is highly desirable. 0; NIST Polycyclic Aromatic Hydrocarbon Structure Index; Options: Switch to calorie-based Other names: n-Propylbenzene; Isocumene; Propylbenzene; 1-Phenylpropane; 1-Propylbenzene; Phenylpropane; UN 2364; Benzene, n-propyl-; NSC 16941 Permanent link for this species. Physical properties: Form: colorless liquid Stability: Stable, but very flammable Melting point: 5. 390\) Å apart in a hexagonal ring, \(5\). Information on this page: Notes May 7, 2010 · Other names: Benzene, p-diethyl-; p-Diethylbenzene; p-Ethylethylbenzene; 1,4-Diethylbenzene; para-Diethylbenzene Permanent link for this species. Jan 23, 2023 · A molecular orbital description of benzene provides a more satisfying and more general treatment of "aromaticity". Jan 23, 2023 · Methylbenzene reacts rather faster than benzene - in nitration, the reaction is about 25 times faster. Benzene (C6H6, CAS No. Thus, benzene is a planar molecule with the shape of a regular hexagon. There are delocalized electrons above and below the plane of the ring. To learn more about the physical and chemical properties of benzene download BYJU’S – The Learning App. Reacts violently with oxidants, nitric acid, sulfuric acid and halogens. Nitrobenzene is an industrial chemical. Fluid Properties; Data at other public NIST sites: Electron-Impact Ionization Cross Sections (on physics web site) Computational Chemistry Comparison and Benchmark Database; Gas Phase Kinetics Database; X-ray Photoelectron Spectroscopy Database, version 5. ChemSpider ID 236. Boiling point: 80°C. *** Very flammable. One carbon gets a positive charge the other forms a C-E bond. As shown below, the remaining cyclic array of six p-orbitals ( one on , The Phase Relations of Binary Systems that Form Azeotropes: N-Alkyl Alcohol-Benzene Systems: Methanol Through N-Butanol, Chem. Average mass 78. 1. 05 mg/l(4) and a vapor pressure of 0. ChemSpider ID 64671. Note! Toluene boiling point at atmospheric pressure is 110. At last,Benzene(71-43-2) safety, risk, hazard and MSDS, CAS,cas number,Use,cas Electrons have a negative charge, and the circle represents an area of high electron density that electrophiles are attracted to. , 1964, 19, 431-44. 4) Benzene occurs as a volatile, colorless, highly flammable liquid that dissolves easily in water. May 7, 2010 · IUPAC Standard InChIKey: ZBIKORITPGTTGI-UHFFFAOYSA-N Copy CAS Registry Number: 3240-34-4 Chemical structure: This structure is also available as a 2d Mol file; Other 1,4-Benzenedimethanol | C8H10O2 | CID 11506 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities Benzene; CAS Number: 71-43-2; Synonyms: Benzene; find Supelco-101782 MSDS, related peer-reviewed papers, technical documents, similar products & more at Sigma-Aldrich Chemical and physical properties of Benzene. Propylbenzene is an alkylbenzene that is benzene having one of its aromatic hydrogens substituted by a propyl group. , The thermodynamic properties of solutions of normal and branched alcohols in benzene and n-hexane. It is a colourless liquid and has an aromatic odour. Go To: Top Data from NIST Standard Reference Database 69: NIST Chemistry WebBook The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. 98; CAS Number: 591-50-4; Linear Formula: C6H5I; find related products, papers, technical documents, MSDS & more at Sigma-Aldrich. It is a colorless, water -insoluble liquid with the odor associated with paint thinners. 0; NIST Polycyclic Aromatic Hydrocarbon Structure Index; Options: Switch to calorie-based Benzene is a fundamental building block in the petrochemical industry and is used in the production of various chemicals, including plastics, detergents, and synthetic fibers. Propylbenzene is a natural product found in Gossypium hirsutum, Picea abies, and other organisms with data available. (3-Bromopropyl)benzene | C9H11Br | CID 12503 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities Technical Service. 2. Acute oral toxicity was evaluated in groups of 10 ChR-CD male rats administered a single dose of tert-butyl-benzene by oral gavage at dose levels of 3000, 3400 and 3800 mg/kg body weight. benzene have been developed with the use of the Helmholtz energy as the fundamental property with independent variables of density and temperature. Benzene is not miscible in water and is soluble in organic solvents. * Surface tension values are only available along the saturation curve. Benzene - Dynamic and Kinematic Viscosity vs. 3. , J. Benzene - Density and Specific Weight vs. Ethylbenzene. 10. 87 gm/cm3 and is lighter than water. 1 g/mol) is an aromatic compound with a single six-member unsaturated carbon ring. Melting point: 6°C. Benzene exhibits resonance. Santiuste J. ⦁ Benzene is lighter than water and has a density of 0. All of the carbon-carbon bonds have exactly the same lengths - somewhere between single and double bonds. , Relationships between retention data of benzene and chlorobenzenes with their physico-chemical properties and topological indices, Chromatographia, 2003, 58, 87-96. Quantity Value Units Method Reference Comment; T boil: 353. 5 °C, and it boils at 80. Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others. The Henry's Law constant for iodobenzene is estimated as 8. Bio Ethanol Production - Raw Materials , The Phase Relations of Binary Systems that Form Azeotropes: N-Alkyl Alcohol-Benzene Systems: Methanol Through N-Butanol, Chem. This forms the arenium ion. It is an oily yellow liquid with an almond-like odor. CAS Registry Number: 71-43-2. This property stems from the delocalized π electrons above and below the plane of the carbon atoms in the ring, forming a cloud of electron density, also referred to as aromatic π cloud. 5 ppm (5 mg/m 3). Information on this page: Notes; Other data available: Gas phase thermochemistry data Jul 4, 2024 · benzene (C6H6), simplest organic, aromatic hydrocarbon and parent compound of numerous important aromatic compounds. Benzene ( C6H6 C 6 H 6) is a planar molecule containing a ring of six carbon atoms, each with a hydrogen atom attached. ”. These compounds contain ring structures and exhibit bonding that must be described using the resonance hybrid concept of valence bond theory or the delocalization concept of molecular orbital theory. 0; NIST Polycyclic Aromatic Hydrocarbon Structure Index; Options: Switch to calorie-based Other names: Benzene, ethyl-; Ethylbenzol; EB; Phenylethane; Aethylbenzol; Ethylbenzeen; Etilbenzene; Etylobenzen; NCI-C56393; UN 1175; α-Methyltoluene; NSC 406903 Permanent link for this species. 112 Da. The structure has a six-carbon ring which is represented by a hexagon and it includes 3-double bonds. Exposure to benzene is highest in areas of heavy motor vehicle trafic and around gasoline fill-ing stations. juiːn / ), also known as toluol ( / ˈtɒl. Because the end product is meta a meta directing group must be utilized. Based on an average benzene concentration of 12. 5 kPa to 4906 Benzene-d6. This sort of stability enhancement is called aromaticity and molecules with aromaticity are called aromatic compounds. It is produced in large quantities for use in industry. 3: The pi 1 molecular orbital of benzene (Left) has 6 stabilizing bonding Chemical Properties of Benzene. (1,7) Benzene has a sweet odor with an ASTDR reported odor threshold of 1. Benzene anhydrous, 99. 87 Principal hazards *** Benzene is a carcinogen (cancer-causing agent). Benzene is an aromatic hydrocarbon, a chemical compound composed of carbon and hydrogen atoms with alternating double bonds forming a ring. Isotopologues: Benzene-D6. 2) A conversion from the nitro group to an amine. Butane - Density and Specific Weight vs. Benzene is a colourless liquid with a characteristic odour and is primarily used in the production of polystyrene. Solubility in water, g/100ml at 25°C: 0. kl in hs gg tp lm sk sa co ak