1.0 2011-09-26 22:54:54 UTC 2025-11-19 02:58:38 UTC FDB029710 benzonitrile Benzonitrile, also known as cyanobenzene or phenyl cyanide, belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. Organic nitriles decompose into cyanide ions both in vivo and in vitro. Benzonitrile is the chemical compound with the formula C6H5(CN), abbreviated PhCN. This aromatic organic compound is a colorless liquid with a sweet almond odour. It is mainly used as a precursor to the resin benzoguanamine. Benzonitrile is a rancid tasting compound and it has been detected, but not quantified, in a few different foods, such as cherry and garden tomato. Benzonitrile is a potentially toxic compound to humans. Benzonitrile is a useful solvent and a versatile precursor to many derivatives such as benzamides and Diphenylketimine. It is produced by ammoxidation of toluene, that is its reaction with ammonia and oxygen (or air) at 400 to 450 °C (752 to 842 °F) (doi:10.1002/14356007.a03_555). C7H5N 103.1213 103.042199165 benzonitrile benzonitrile 100-47-0 N#CC1=CC=CC=C1 InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H JFDZBHWFFUWGJE-UHFFFAOYSA-N belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. Benzonitriles Organic compounds Benzenoids Benzene and substituted derivatives Benzonitriles Aromatic homomonocyclic compounds Hydrocarbon derivatives Nitriles Organopnictogen compounds Aromatic homomonocyclic compound Benzonitrile Carbonitrile Hydrocarbon derivative Nitrile Organic nitrogen compound Organonitrogen compound Organopnictogen compound benzenes nitrile logp 1.55 ALOGPS logs -1.05 ALOGPS solubility 9.25e+00 g/l ALOGPS logp 1.83 ChemAxon iupac benzonitrile ChemAxon average_mass 103.1213 ChemAxon mono_mass 103.042199165 ChemAxon smiles N#CC1=CC=CC=C1 ChemAxon formula C7H5N ChemAxon inchi InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H ChemAxon inchikey JFDZBHWFFUWGJE-UHFFFAOYSA-N ChemAxon polar_surface_area 23.79 ChemAxon refractivity 31.78 ChemAxon polarizability 10.83 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 369 Specdb::NmrOneD 2064 Specdb::NmrOneD 2754 Specdb::CMs 27279 Specdb::CMs 27549 Specdb::CMs 27965 Specdb::CMs 28979 Specdb::CMs 29706 Specdb::CMs 35406 Specdb::MsMs 46263 Specdb::MsMs 46264 Specdb::MsMs 46265 Specdb::MsMs 166023 Specdb::MsMs 166024 Specdb::MsMs 166025 Specdb::MsMs 448349 Specdb::MsMs 448350 Specdb::MsMs 448351 Specdb::MsMs 448352 Specdb::MsMs 448353 Specdb::MsMs 448354 Specdb::MsMs 448355 Specdb::MsMs 448356 Specdb::MsMs 448357 Specdb::MsMs 448358 Specdb::MsMs 448604 Specdb::MsMs 448605 Specdb::MsMs 448606 Specdb::MsMs 448607 Specdb::MsMs 448608 Specdb::MsMs 448609 Specdb::MsMs 448610 Specdb::MsMs 448611 Specdb::MsMs 448612 Cherry tomato Type 1 specific Solanum lycopersicum var. cerasiforme 195583 Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 rancid