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Substance Name: Indole-5-carbonitrile
RN: 15861-24-2
InChIKey: YHYLDEVWYOFIJK-UHFFFAOYSA-N

Molecular Formula

  • C9-H6-N2

Molecular Weight

  • 142.16
 
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Names and Synonyms

Synonyms

  • 1H-Indole-5-carbonitrile
  • 5-Cyanoindole
  • EINECS 239-986-4

Systematic Name

  • Indole-5-carbonitrile

Registry Numbers

CAS Registry Number

  • 15861-24-2

System Generated Number

  • 0015861242

Structure Descriptors

InChI

1S/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H

InChIKey

YHYLDEVWYOFIJK-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)C#N)[nH]cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12275,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 106-108 deg C   EXP
log P (octanol-water) 2.38 (none)   EXP
Water Solubility 413 mg/L 25 EST
Vapor Pressure 2.32E-04 mm Hg 25 EST
Henry's Law Constant 8.56E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.94E-11 cm3/molecule-sec 25 EST

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