Benzonitrile

Benzonitrile bmse000284 - Data bmst000218 - Theory

Benzonitrile synonyms

Benzoic acid nitrile; Benzenenitrile; Cyanobenzene; AI3-24184; Fenylkyanid [Czech]; Benzenecarbonitrile; Benzene, cyano-; Phenyl cyanide; NSC 8039; UN2224; Benzonitrile [UN2224] [Poison]

Wikipedia:

Graphical representations:

Benzonitrile

View large 3D structure

Molecular Formula: C7H5N

Natural Isotopic Abundance Mass: 103.1213000000

Mono-Isotopic Molecular Masses:

  • C12N14: 103.042199166
  • C13N14: 110.06568303
  • C12N15: 104.039234059
  • C13N15: 110.06568303

InChI string: InChI=1/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H

IUPAC: benzonitrile

PubChem Compound (CID): 7505
KEGG Compound ID: C09814
ChemIDplus: 000100470
CAS Registry number: 100-47-0
EINECS: 202-855-7
CCRIS: 3184
HSDB: 45

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)