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Substance Name: 1-Chloro-3-nitrobenzene
RN: 121-73-3
UNII: 8XSA3GF8O1
InChIKey: KMAQZIILEGKYQZ-UHFFFAOYSA-N

Molecular Formula

  • C6-H4-Cl-N-O2

Molecular Weight

  • 157.556
 

Classification Codes

Classification Code

  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Results Name

  • 1-Chloro-3-nitrobenzene

Name of Substance

  • 1-Chloro-3-nitrobenzene
  • 1-Chloronitrobenzene

Synonyms

  • 1-Chloro-3-nitrobenzene
  • 1-Nitro-3-chlorobenzene
  • 3-Chloro-1-nitrobenzene
  • AI3-15386
  • Benzene, 1-chloro-3-nitro-
  • CCRIS 3094
  • Chloro-m-nitrobenzene
  • EINECS 204-496-1
  • HSDB 1323
  • m-Chloronitrobenzene
  • m-Nitrochlorobenzene
  • Metachloronitrobenzene
  • NSC 5502
  • UNII-8XSA3GF8O1

Systematic Names

  • 1-Chloro-3-nitrobenzene
  • Benzene, 1-chloro-3-nitro-
  • m-Chloronitrobenzene

Superlist Names

  • 3-Chloronitrobenzene
  • Benzene, 1-chloro-3-nitro-
  • Chloronitrobenzenes meta or para, solid
  • Chloronitrobenzenes meta or para, solid [UN1578] [Poison]
  • m-Chloronitrobenzene
  • m-Nitrochlorobenzene
  • UN1578

Registry Numbers

CAS Registry Number

  • 121-73-3

FDA UNII

  • 8XSA3GF8O1

System Generated Number

  • 0000121733

Structure Descriptors

InChI

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

InChIKey

KMAQZIILEGKYQZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 380mg/kg (380mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981.
rat LD50 oral 420mg/kg (420mg/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.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 44.4 deg C   EXP
Boiling Point 235.5 deg C   EXP
log P (octanol-water) 2.46 (none)   EXP
Water Solubility 273 mg/L 20 EXP
Vapor Pressure 0.097 mm Hg 25 EXP
Henry's Law Constant 1.35E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.20E-13 cm3/molecule-sec 25 EST

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