Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Acetic acid, cyanophenyl- (8CI)
RN: 14025-79-7
InChIKey: DKFPBXQCCCIWLC-UHFFFAOYSA-N

Molecular Formula

  • C9-H7-N-O2

Molecular Weight

  • 161.159
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2-Cyano-2-phenylacetic acid
  • 4-09-00-03341 (Beilstein Handbook Reference)
  • alpha-Cyanobenzeneacetic acid
  • BRN 2047564
  • Cyanophenylacetic acid
  • Phenylcyanoacetic acid

Systematic Names

  • Acetic acid, 2-cyano-2-phenyl-
  • Acetic acid, cyanophenyl- (8CI)
  • Benzeneacetic acid, alpha-cyano- (9CI)

Registry Numbers

CAS Registry Number

  • 14025-79-7

System Generated Number

  • 0014025797

Structure Descriptors

InChI

1S/C9H7NO2/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8H,(H,11,12)

InChIKey

DKFPBXQCCCIWLC-UHFFFAOYSA-N

Smiles

c1([C@@H](C(O)=O)C#N)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05209,