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Benzonitrile information


Benzonitrile
Skeletal formula
Skeletal formula
Ball-and-stick model
Ball-and-stick model
Names
Preferred IUPAC name
Benzonitrile
Systematic IUPAC name
Benzenecarbonitrile
Other names
cyanobenzene
phenyl cyanide
Identifiers
CAS Number
  • 100-47-0 checkY
3D model (JSmol)
  • Interactive image
3DMet
  • B01115
Beilstein Reference
506893
ChEBI
  • CHEBI:27991 checkY
ChEMBL
  • ChEMBL15819 checkY
ChemSpider
  • 7224 checkY
ECHA InfoCard 100.002.596 Edit this at Wikidata
EC Number
  • 202-855-7
Gmelin Reference
2653
KEGG
  • C09814 checkY
PubChem CID
  • 7505
RTECS number
  • DI2450000
UNII
  • 9V9APP5H5S checkY
UN number 2224
CompTox Dashboard (EPA)
  • DTXSID7021491 Edit this at Wikidata
InChI
  • InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H checkY
    Key: JFDZBHWFFUWGJE-UHFFFAOYSA-N checkY
  • InChI=1/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
    Key: JFDZBHWFFUWGJE-UHFFFAOYAY
SMILES
  • N#Cc1ccccc1
Properties
Chemical formula
C6H5(CN)
Molar mass 103.12 g/mol
Density 1.0 g/ml
Melting point −13 °C (9 °F; 260 K)
Boiling point 188 to 191 °C (370 to 376 °F; 461 to 464 K)
Solubility in water
<0.5 g/100 ml (22 °C)
Magnetic susceptibility (χ)
-65.19·10−6 cm3/mol
Refractive index (nD)
1.5280
Hazards
GHS labelling:
Pictograms
GHS07: Exclamation mark
Signal word
Warning
Hazard statements
H302, H312
Precautionary statements
P264, P270, P280, P301+P312, P302+P352, P312, P322, P330, P363, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 3: Short exposure could cause serious temporary or residual injury. E.g. chlorine gasFlammability 2: Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur. Flash point between 38 and 93 °C (100 and 200 °F). E.g. diesel fuelInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
3
2
0
Flash point 75 °C (167 °F; 348 K)
Autoignition
temperature
550 °C (1,022 °F; 823 K)
Explosive limits 1.4–7.2%
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)
Infobox references

Benzonitrile is the chemical compound with the formula C6H5(CN), abbreviated PhCN. This aromatic organic compound is a colorless liquid with a sweet bitter almond odour. It is mainly used as a precursor to the resin benzoguanamine.

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Benzonitrile

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Benzonitrile is the chemical compound with the formula C6H5(CN), abbreviated PhCN. This aromatic organic compound is a colorless liquid with a sweet bitter...

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Nitrile

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was able to prepare the very toxic and volatile pure acid. Around 1832 benzonitrile, the nitrile of benzoic acid, was prepared by Friedrich Wöhler and Justus...

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Benzoic acid

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usually gives a yield of around 65%. Like other nitriles and amides, benzonitrile and benzamide can be hydrolyzed to benzoic acid or its conjugate base...

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Letts nitrile synthesis

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between benzoyl chloride with potassium cyanide produced the desired benzonitrile. Work done later by British chemist Edmund A. Letts delved much deeper...

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Water

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Octatetraynyl radical Propene Propionitrile Ten atoms or more Acetone Benzene Benzonitrile Buckminsterfullerene (C60, C60+, fullerene, buckyball) C70 fullerene...

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Ethylamine

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products as well. Ethylamine is used as a precursor chemical along with benzonitrile (as opposed to o-chlorobenzonitrile and methylamine in ketamine synthesis)...

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Antihistamine

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of ABT-239 [4-(2-{2-[(2R)-2-Methylpyrrolidinyl]ethyl}-benzofuran-5-yl)benzonitrile]: II. Neurophysiological characterization and broad preclinical efficacy...

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Palladium

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complexes of the type PdCl2L2. One example of such complexes is the benzonitrile derivative PdCl2(PhCN)2. PdCl2 + 2 L → PdCl2L2 (L = PhCN, PPh3, NH3,...

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Sodium tetrachloropalladate

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polymer of palladium(II) chloride into reactive, monomeric acetonitrile or benzonitrile complexes, followed by reaction with phosphines. Daniele Choueiry and...

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Carbon dioxide

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Octatetraynyl radical Propene Propionitrile Ten atoms or more Acetone Benzene Benzonitrile Buckminsterfullerene (C60, C60+, fullerene, buckyball) C70 fullerene...

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Crisaborole

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(chemical name: 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzonitrile) is a member of the class of benzoxaboroles characterized by the presence...

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Hydrogen peroxide

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Octatetraynyl radical Propene Propionitrile Ten atoms or more Acetone Benzene Benzonitrile Buckminsterfullerene (C60, C60+, fullerene, buckyball) C70 fullerene...

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Outer space

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Octatetraynyl radical Propene Propionitrile Ten atoms or more Acetone Benzene Benzonitrile Buckminsterfullerene (C60, C60+, fullerene, buckyball) C70 fullerene...

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Extraterrestrial life

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Octatetraynyl radical Propene Propionitrile Ten atoms or more Acetone Benzene Benzonitrile Buckminsterfullerene (C60, C60+, fullerene, buckyball) C70 fullerene...

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Chemical formula

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Octatetraynyl radical Propene Propionitrile Ten atoms or more Acetone Benzene Benzonitrile Buckminsterfullerene (C60, C60+, fullerene, buckyball) C70 fullerene...

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Naphthalene

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efficient than other high-boiling solvents, such as dichlorobenzene, benzonitrile, nitrobenzene and durene. The reaction of C60 with anthracene is conveniently...

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Methane

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Octatetraynyl radical Propene Propionitrile Ten atoms or more Acetone Benzene Benzonitrile Buckminsterfullerene (C60, C60+, fullerene, buckyball) C70 fullerene...

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Molecule

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Octatetraynyl radical Propene Propionitrile Ten atoms or more Acetone Benzene Benzonitrile Buckminsterfullerene (C60, C60+, fullerene, buckyball) C70 fullerene...

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Nitrogen

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Octatetraynyl radical Propene Propionitrile Ten atoms or more Acetone Benzene Benzonitrile Buckminsterfullerene (C60, C60+, fullerene, buckyball) C70 fullerene...

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Life

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Octatetraynyl radical Propene Propionitrile Ten atoms or more Acetone Benzene Benzonitrile Buckminsterfullerene (C60, C60+, fullerene, buckyball) C70 fullerene...

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Ammonia

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Octatetraynyl radical Propene Propionitrile Ten atoms or more Acetone Benzene Benzonitrile Buckminsterfullerene (C60, C60+, fullerene, buckyball) C70 fullerene...

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Ethanol

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Octatetraynyl radical Propene Propionitrile Ten atoms or more Acetone Benzene Benzonitrile Buckminsterfullerene (C60, C60+, fullerene, buckyball) C70 fullerene...

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Benzene

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Octatetraynyl radical Propene Propionitrile Ten atoms or more Acetone Benzene Benzonitrile Buckminsterfullerene (C60, C60+, fullerene, buckyball) C70 fullerene...

Word Count : 9419

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