Benzonitrile

Title: Benzonitrile
CAS Registry Number: 100-47-0
Additional Names: Phenyl cyanide; cyanobenzene
Molecular Formula: C7H5N
Molecular Weight: 103.12
Percent Composition: C 81.53%, H 4.89%, N 13.58%
Line Formula: C6H5CN
Literature References: Prepd by heating Na benzenesulfonate with NaCN or by adding benzenediazonium chloride soln to a hot aq NaCN soln contg CuSO4 and distilling. Lab prepn: A. I. Vogel, Practical Organic Chemistry (Longmans, London, 3rd ed, 1959) p 608.
Properties: Liquid, odor of volatile oil of almond. bp760 190.7°, bp100 123.5°, bp10 69.2°, bp1 28.2°. mp -12.75°. d1515 1.010. nD20 1.5289. Fire pt 167°F. Slightly sol in cold water; sol to the extent of 1% in water at 100°; miscible with common organic solvents.
Melting point: mp -12.75°
Boiling point: bp760 190.7°; bp100 123.5°; bp10 69.2°; bp1 28.2°
Index of refraction: nD20 1.5289
Density: d1515 1.010
Use: Solvent.
Benzophenone Benzophenone-6 Benzopinacol Benzopurpurine 4B Benzoquinonium Chloride

Benzonitrile
Skeletal formula
Ball-and-stick model
Identifiers
CAS number 100-47-0 YesY
PubChem 7505
ChemSpider 7224 YesY
UNII 9V9APP5H5S YesY
KEGG C09814 YesY
ChEBI CHEBI:27991 YesY
ChEMBL CHEMBL15819 YesY
Jmol-3D images Image 1
Properties
Molecular formula C7H5N
Molar mass 103.12 g/mol
Density 1.0 g/ml
Melting point −13 °C
Boiling point 188–191 °C
Solubility in water <0.5 g/100 ml (22 °C)
Refractive index (nD) 1.5280
Hazards
EU Index 608-012-00-3
EU classification Harmful (Xn)
R-phrases R21/22
S-phrases (S2), S23
NFPA 704
NFPA 704.svg
2
3
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Flash point 75 °C; 167 °F; 348 K
Autoignition temperature 550 °C; 1,022 °F; 823 K
Explosive limits 1.4–7.2%
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Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
Infobox references

Benzonitrile is the chemical compound with the formula C6H5CN, abbreviated PhCN. This aromatic organic compound is colourless, with a sweet almond odour. It is mainly used as a precursor to the resin benzoguanamine.