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Substance Name: 3,4-Dichloronitrobenzene
RN: 99-54-7
UNII: IJT74JI7FS
InChIKey: NTBYINQTYWZXLH-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

Results Name

  • 3,4-Dichloronitrobenzene

Name of Substance

  • 1,2-Dichloro-4-nitrobenzene
  • 3,4-Dichloronitrobenzene

Synonyms

  • 1,2-Dichloro-4-nitrobenzene
  • 1-Nitro-3,4-dichlorobenzene
  • 3,4-Dichlornitrobenzen
  • 3,4-Dichlornitrobenzen [Czech]
  • 3,4-Dichloronitrobenzen
  • 3,4-Dichloronitrobenzen [Czech]
  • 3,4-Dichloronitrobenzene
  • 4-05-00-00726 (Beilstein Handbook Reference)
  • AI3-03268
  • AI3-03268 (USDA)
  • Benzene, 1,2-dichloro-4-nitro-
  • BRN 1818163
  • CCRIS 3097
  • DCNB
  • EC 202-764-2
  • EINECS 202-764-2
  • HSDB 4252
  • NSC 6295
  • UNII-IJT74JI7FS

Systematic Names

  • 1,2-Dichloro-4-nitrobenzene
  • 3,4-Dichloronitrobenzene
  • Benzene, 1,2-dichloro-4-nitro-

Superlist Names

  • 3,4-Dichloronitrobenzene
  • Benzene, 1,2-dichloro-4-nitro-

Registry Numbers

CAS Registry Number

  • 99-54-7

FDA UNII

  • IJT74JI7FS

System Generated Number

  • 0000099547

Structure Descriptors

InChI

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

InChIKey

NTBYINQTYWZXLH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 skin 790mg/kg (790mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 47, 1982.
guinea pig LD50 oral 500mg/kg (500mg/kg)   National Technical Information Service. Vol. OTS0536149,
mouse LD50 intraperitoneal 400mg/kg (400mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS
National Technical Information Service. Vol. OTS0533585,
mouse LD50 oral 1384mg/kg (1384mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 47, 1982.
rabbit LD skin > 200mg/kg (200mg/kg)   National Technical Information Service. Vol. OTS0533734,
rat LC50 inhalation 10gm/m3/4H (10000mg/m3)   National Technical Information Service. Vol. OTS0533734,
rat LC50 inhalation 10gm/m3/4H (10000mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
National Technical Information Service. Vol. OTS0533734,
rat LD50 intraperitoneal 400mg/kg (400mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
National Technical Information Service. Vol. OTS0533585,
rat LD50 oral 953mg/kg (953mg/kg)   National Technical Information Service. Vol. OTS0533734,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43 deg C   EXP
Boiling Point 255.5 deg C   EXP
log P (octanol-water) 3.12 (none)   EXP
Water Solubility 121 mg/L 20 EXP
Henry's Law Constant 8.07E-06 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.