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Substance Name: 4-Chloro-3-nitroaniline
RN: 635-22-3
UNII: B13U77ZL3A
InChIKey: FOHHWGVAOVDVLP-UHFFFAOYSA-N

Note

  • Intermediate in manufacture of pigments.

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C6-H5-Cl-N2-O2

Molecular Weight

  • 172.57
 
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Names and Synonyms

Name of Substance

  • 4-Chloro-3-nitroaniline

Synonyms

  • 3-Nitro-4-chloroaniline
  • 4-12-00-01674 (Beilstein Handbook Reference)
  • 4-Chloro-3-nitroaniline
  • Aniline, 4-chloro-3-nitro-
  • Benzenamine, 4-chloro-3-nitro-
  • BRN 1309394
  • EINECS 211-231-3
  • HSDB 5439
  • NSC 37397
  • UNII-B13U77ZL3A

Systematic Names

  • 4-Chloro-3-nitroaniline
  • Aniline, 4-chloro-3-nitro-
  • Benzenamine, 4-chloro-3-nitro-

Registry Numbers

CAS Registry Number

  • 635-22-3

FDA UNII

  • B13U77ZL3A

System Generated Number

  • 0000635223

Structure Descriptors

InChI

1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2

InChIKey

FOHHWGVAOVDVLP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 100mg/kg (100mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
guinea pig LD50 skin > 1gm/kg (1000mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0882-0452,
mouse LD50 intraperitoneal 200mg/kg (200mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0882-0452,
mouse LD50 oral 800mg/kg (800mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0882-0452,
rat LD50 intraperitoneal 200mg/kg (200mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0882-0452,
rat LD50 oral 400mg/kg (400mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0882-0452,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 100 deg C   EXP
pKa Dissociation Constant 1.9 (none) 25 EXP
log P (octanol-water) 2.06 (none)   EXP
Water Solubility 1040 mg/L 25 EST
Vapor Pressure 4.85E-04 mm Hg 25 EST
Henry's Law Constant 5.57E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.75E-12 cm3/molecule-sec 25 EST

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