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Substance Name: 1-Chloro-2-nitrobenzene
RN: 88-73-3
UNII: D1YI9R2K8O
InChIKey: BFCFYVKQTRLZHA-UHFFFAOYSA-N

Molecular Formula

  • C6-H4-Cl-N-O2

Molecular Weight

  • 157.556
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 1-Chloro-2-nitrobenzene
  • 2-Chloronitrobenzene

Synonyms

  • 1-Chloro-2-nitrobenzene
  • 1-Nitro-2-chlorobenzene
  • 2-Chloro-1-nitrobenzene
  • 2-Chloronitrobenzene
  • 2-Nitrochlorobenzene
  • AI3-15385
  • CCRIS 141
  • EC 201-854-9
  • EINECS 201-854-9
  • HSDB 1322
  • NSC 36934
  • o-Chloronitrobenzene
  • o-Nitrochlorobenzene
  • ONCB
  • UNII-D1YI9R2K8O

Systematic Names

  • 1-Chloro-2-nitrobenzene
  • Benzene, 1-chloro-2-nitro-
  • o-Chloronitrobenzene

Superlist Names

  • 2-Chloronitrobenzene
  • Benzene, 1-chloro-2-nitro-
  • Chloronitrobenzene, ortho, liquid
  • Chloronitrobenzene, ortho, liquid [UN1578] [Poison]
  • o-Chloronitrobenzene
  • o-Nitrochlorobenzene
  • UN1578

Registry Numbers

CAS Registry Number

  • 88-73-3

FDA UNII

  • D1YI9R2K8O

System Generated Number

  • 0000088733

Structure Descriptors

InChI

1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H

InChIKey

BFCFYVKQTRLZHA-UHFFFAOYSA-N

Smiles

c1(c(cccc1)Cl)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 135mg/kg (135mg/kg)   National Technical Information Service. Vol. PB214-270,
rabbit LD50 oral 280mg/kg (280mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 92, 1982.
rabbit LD50 skin 400mg/kg (400mg/kg)   Fundamental and Applied Toxicology. Vol. 7, Pg. 609, 1986.
rat LD50 oral 268mg/kg (268mg/kg)   National Technical Information Service. Vol. PB214-270,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 32.5 deg C   EXP
Boiling Point 245.5 deg C   EXP
log P (octanol-water) 2.24 (none)   EXP
Water Solubility 441 mg/L 25 EXP
Henry's Law Constant 9.30E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.71E-13 cm3/molecule-sec 25 EST

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