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Substance Name: Phenol, 3-chloro-4-nitro-
RN: 491-11-2
InChIKey: DKTRZBWXGOPYIX-UHFFFAOYSA-N

Molecular Formula

  • C6-H4-Cl-N-O3

Molecular Weight

  • 173.555
 
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Names and Synonyms

Synonyms

  • 3-Chloro-4-nitrophenol
  • 4-06-00-01357 (Beilstein Handbook Reference)
  • BRN 1950821
  • EINECS 207-730-0

Systematic Names

  • 3-Chloro-4-nitrophenol
  • Phenol, 3-chloro-4-nitro-

Registry Numbers

CAS Registry Number

  • 491-11-2

System Generated Number

  • 0000491112

Structure Descriptors

InChI

1S/C6H4ClNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H

InChIKey

DKTRZBWXGOPYIX-UHFFFAOYSA-N

Smiles

c1(c(cc(O)cc1)Cl)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 125mg/kg (125mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 60, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.550 (none)   EST
Water Solubility 1490 mg/L 25 EST
Vapor Pressure 2.96E-04 mm Hg 25 EST
Henry's Law Constant 1.64E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.07E-12 cm3/molecule-sec 25 EST

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