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Substance Name: 2-Chloro-6-nitrotoluene
RN: 83-42-1
UNII: WEZ013857X
InChIKey: XCSNRORTQRKCHB-UHFFFAOYSA-N

Molecular Formula

  • C7-H6-Cl-N-O2

Molecular Weight

  • 171.582
 
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Names and Synonyms

Name of Substance

  • 2-Chloro-6-nitrotoluene

Synonyms

  • 1-Chloro-2-methyl-3-nitrobenzene
  • 2-Chloro-6-nitrotoluene
  • 3-Chloro-2-methylnitrobenzene
  • 4-05-00-00854 (Beilstein Handbook Reference)
  • 6-Chloro-2-nitrotoluene
  • AI3-00485
  • Benzene, 1-chloro-2-methyl-3-nitro-
  • BRN 1239924
  • Caswell No. 202
  • EC 201-475-9
  • EINECS 201-475-9
  • EPA Pesticide Chemical Code 019001
  • NSC 49147
  • UNII-WEZ013857X

Systematic Names

  • 2-Chloro-6-nitrotoluene
  • Benzene, 1-chloro-2-methyl-3-nitro-
  • Toluene, 2-chloro-6-nitro-

Registry Numbers

CAS Registry Number

  • 83-42-1

FDA UNII

  • WEZ013857X

System Generated Number

  • 0000083421

Structure Descriptors

InChI

1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3

InChIKey

XCSNRORTQRKCHB-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1)Cl)C)[N+](=O)[O-]

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#03505,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 37.8 deg C   EXP
Boiling Point 238 deg C   EXP
log P (octanol-water) 3.09 (none)   EXP
Water Solubility 56.6 mg/L 25 EST
Vapor Pressure 0.011 mm Hg 25 EST
Henry's Law Constant 1.74E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.22E-13 cm3/molecule-sec 25 EST

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