1.0 2016-06-03 13:27:31 UTC 2026-08-19 03:52:05 UTC (Bromomethylphenyl-4')-2 benzonitrile SmallMolecule (Bromomethylphenyl-4')-2 benzonitrile is an organic compound with the formula C14H10BrN and an average molecular weight of 272.14 g/mol. (Bromomethylphenyl-4')-2 benzonitrile belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This substance has been found in or released from 19 recorded sources across several sectors. In the category of drinking water and water supply, it is present in bottled water, desalinated water, drinking water, and tap water. It occurs in aquatic systems and sediments, including freshwater, groundwater, seawater, and surface water. Within wastewater, sanitation, and biosolids, it is detected in industrial wastewater, mine wastewater, wastewater treatment effluent, and unspecified wastewater. Additionally, the compound is associated with appliances, HVAC, and refrigerants, specifically water heaters and water coolers. It is also found in marine, shipping, and aquaculture sources, such as bilge water and ballast water, as well as in irrigation water used for agriculture and land management, and two other sectors. Recorded exposure routes for this compound include oral, inhalation, and touch. PMT C14H10BrN 272.145 270.999662 4'-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile 4'-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile 114772-54-2 BrCC1=CC=C(C=C1)C1=CC=CC=C1C#N InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2 LFFIEVAMVPCZNA-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Biphenyls and derivatives Biphenylcarbonitriles Alkyl bromides Benzonitriles Benzyl bromides Hydrocarbon derivatives Nitriles Organobromides Organopnictogen compounds Alkyl bromide Alkyl halide Aromatic homomonocyclic compound Benzonitrile Benzyl bromide Benzyl halide Biphenylcarbonitrile Carbonitrile Hydrocarbon derivative Nitrile Organic nitrogen compound Organobromide Organohalogen compound Organonitrogen compound Organopnictogen compound Aromatic homomonocyclic compounds Detected and Not Quantified logp 3.8 logp 4.73 ALOGPS logs -4.75 ALOGPS solubility 4.89e-03 g/l ALOGPS logp 4.25 ChemAxon iupac 4'-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile ChemAxon average_mass 272.145 ChemAxon mono_mass 270.999662 ChemAxon smiles BrCC1=CC=C(C=C1)C1=CC=CC=C1C#N ChemAxon formula C14H10BrN ChemAxon inchi InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2 ChemAxon inchikey LFFIEVAMVPCZNA-UHFFFAOYSA-N ChemAxon polar_surface_area 23.79 ChemAxon refractivity 69.77 ChemAxon polarizability 25.2 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7220ae4ba8> 1501912 1236773