Benzonitrile

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.

Benzonitrile
Names
Preferred IUPAC name
Benzonitrile
Systematic IUPAC name
Benzenecarbonitrile
Other names
Identifiers
3D model (JSmol)
3DMet
506893
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.002.596
EC Number
  • 202-855-7
2653
KEGG
PubChem CID
RTECS number
  • DI2450000
UNII
UN number 2224
  • InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H Y
    Key: JFDZBHWFFUWGJE-UHFFFAOYSA-N Y
  • InChI=1/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
    Key: JFDZBHWFFUWGJE-UHFFFAOYAY
SMILES
  • N#Cc1ccccc1
Properties
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)
<0.5 g/100 ml (22 °C)
Magnetic susceptibility (χ)
-65.19·10−6 cm3/mol
Refractive index (nD)
1.5280
Hazards
GHS labelling:
Warning
H302, H312
P264, P270, P280, P301+P312, P302+P352, P312, P322, P330, P363, P501
NFPA 704 (fire diamond)
3
2
0
Flash point 75 °C (167 °F; 348 K)
550 °C (1,022 °F; 823 K)
Explosive limits 1.47.2%
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Y verify (what is YN ?)
Infobox references
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