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Substance Name: 2,5-Dichloronitrobenzene
RN: 89-61-2
UNII: IY18G50FF4
InChIKey: RZKKOBGFCAHLCZ-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C6-H3-Cl2-N-O2

Molecular Weight

  • 192.001
 
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Names and Synonyms

Name of Substance

  • 2,5-Dichloronitrobenzene

Synonyms

  • 1,4-Dichloro-2-nitrobenzene
  • 1-Nitro-2,5-dichlorobenzene
  • 2,5-Dichlornitrobenzen
  • 2,5-Dichlornitrobenzen [Czech]
  • 2,5-Dichloronitrobenzene
  • 2,5-Dichloronitrobenzol
  • 4-05-00-00726 (Beilstein Handbook Reference)
  • AI3-01523
  • Benzene, 2,5-dichloronitro-
  • BRN 0778109
  • CCRIS 3096
  • EINECS 201-923-3
  • HSDB 8024
  • Nitro-p-dichlorobenzene
  • NSC 406125
  • UNII-IY18G50FF4

Systematic Names

  • 1,4-Dichloro-2-nitrobenzene
  • 2,5-Dichloronitrobenzene
  • Benzene, 1,4-dichloro-2-nitro-

Superlist Names

  • 2,5-Dichloronitrobenzene
  • Benzene, 1,4-dichloro-2-nitro-

Registry Numbers

CAS Registry Number

  • 89-61-2

FDA UNII

  • IY18G50FF4

System Generated Number

  • 0000089612

Structure Descriptors

InChI

1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

InChIKey

RZKKOBGFCAHLCZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 800mg/kg (800mg/kg)   National Technical Information Service. Vol. OTS0536149,
mouse LD50 oral 2850mg/kg (2850mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981.
rat LD50 oral 1gm/kg (1000mg/kg)   Zhonghua Yufangyixue Zazhi. Chinese Journal of Preventive Medicine. Vol. 21, Pg. 315, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 56 deg C   EXP
Boiling Point 267 deg C   EXP
log P (octanol-water) 3.09 (none)   EXP
Water Solubility 14 mg/L 25 EXP
Vapor Pressure 5.05E-03 mm Hg 25 EST
Henry's Law Constant 1.20E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 5.01E-14 cm3/molecule-sec 25 EST

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