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Substance Name: Indole
RN: 120-72-9
UNII: 8724FJW4M5
InChIKey: SIKJAQJRHWYJAI-UHFFFAOYSA-N

Classification Codes

  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C8-H7-N

Molecular Weight

  • 117.15
 
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Names and Synonyms

Name of Substance

  • Indole

Synonyms

  • 1-Azaindene
  • 1-Benzazole
  • 1-Benzo(b)pyrrole
  • 1H-Indole
  • 2,3-Benzopyrole
  • 2,3-Benzopyrrole
  • AI3-01540
  • Benzopyrrole
  • Caswell No. 498B
  • CCRIS 4421
  • EINECS 204-420-7
  • EPA Pesticide Chemical Code 025000
  • FEMA No. 2593
  • HSDB 599
  • Indol
  • Indol [German]
  • Indole
  • Indole (natural)
  • Ketole
  • NSC 1964
  • UNII-8724FJW4M5

Systematic Names

  • 1H-Indole
  • Indole

Superlist Names

  • 1H-Indole
  • Indole

Registry Numbers

CAS Registry Number

  • 120-72-9

FDA UNII

  • 8724FJW4M5

System Generated Number

  • 0000120729

Structure Descriptors

InChI

1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H

InChIKey

SIKJAQJRHWYJAI-UHFFFAOYSA-N

Smiles

c12c([nH]cc1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 117mg/kg (117mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1620, 1974.
mouse LD50 subcutaneous 225mg/kg (225mg/kg)   Klinische Wochenscrift. Vol. 35, Pg. 504, 1957.
mouse LDLo oral 1070mg/kg (1070mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
rabbit LD50 skin 790mg/kg (790mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 1gm/kg (1000mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 52.5 deg C   EXP
Boiling Point 254 deg C   EXP
pKa Dissociation Constant -2.40E+00 (none) 25 EXP
log P (octanol-water) 2.14 (none)   EXP
Water Solubility 3560 mg/L 25 EXP
Vapor Pressure 0.0122 mm Hg 25 EXP
Henry's Law Constant 5.28E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.54E-10 cm3/molecule-sec 25 EXP

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