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Substance Name: 2-Aminobenzonitrile
RN: 1885-29-6
UNII: 5RXH2B211R
InChIKey: HLCPWBZNUKCSBN-UHFFFAOYSA-N

Molecular Formula

  • C7-H6-N2

Molecular Weight

  • 118.138
 
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Names and Synonyms

Name of Substance

  • 2-Aminobenzonitrile

Synonyms

  • 2-Aminobenzonitrile
  • 2-Cyanoaniline
  • 4-14-00-01013 (Beilstein Handbook Reference)
  • BRN 0907187
  • EINECS 217-549-9
  • o-Aminobenzonitrile
  • o-Cyanoaniline
  • UNII-5RXH2B211R

Systematic Names

  • Anthranilonitrile
  • Benzonitrile, 2-amino-

Registry Numbers

CAS Registry Number

  • 1885-29-6

FDA UNII

  • 5RXH2B211R

System Generated Number

  • 0001885296

Structure Descriptors

InChI

1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2

InChIKey

HLCPWBZNUKCSBN-UHFFFAOYSA-N

Smiles

N#Cc1c(N)cccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 41, Pg. 41, 1986.
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00381,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 51 deg C   EXP
Boiling Point 263 deg C   EXP
log P (octanol-water) 1.4 (none)   EXP
Water Solubility 3530 mg/L 25 EST
Vapor Pressure 8.87E-03 mm Hg 25 EST
Henry's Law Constant 1.84E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.90E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.