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Substance Name: 2,4-Dichloroaniline
RN: 554-00-7
UNII: 19AE42M6WS
InChIKey: KQCMTOWTPBNWDB-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H5-Cl2-N

Molecular Weight

  • 162.018
 
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Names and Synonyms

Name of Substance

  • 2,4-Dichloroaniline

Synonyms

  • 2,4-DCA
  • 2,4-Dichloranilin
  • 2,4-Dichloranilin [German]
  • 2,4-Dichloroaniline
  • 2,4-Dichlorobenzenamine
  • 4-12-00-01241 (Beilstein Handbook Reference)
  • Aniline, 2,4-dichloro-
  • Benzenamine, 2,4-dichloro-
  • BRN 0386422
  • CCRIS 6012
  • EC 209-057-8
  • EINECS 209-057-8
  • HSDB 5428
  • NSC 8756
  • o,p-Dichloroaniline
  • UNII-19AE42M6WS

Systematic Names

  • 2,4-Dichloroaniline
  • Aniline, 2,4-dichloro-
  • Benzenamine, 2,4-dichloro-

Registry Numbers

CAS Registry Number

  • 554-00-7

FDA UNII

  • 19AE42M6WS

System Generated Number

  • 0000554007

Structure Descriptors

InChI

1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

InChIKey

KQCMTOWTPBNWDB-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)Cl)N)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 113mg/kg (113mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN
Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 72, Pg. 241, 1913.
mouse LD50 intraperitoneal 400mg/kg (400mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: MUSCLE WEAKNESS
Office of Toxic Substances Report. Vol. OTS,
mouse LD50 oral 400mg/kg (400mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Office of Toxic Substances Report. Vol. OTS,
rat LD50 intraperitoneal 400mg/kg (400mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Office of Toxic Substances Report. Vol. OTS,
rat LD50 oral 1600mg/kg (1600mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: MUSCLE WEAKNESS
Office of Toxic Substances Report. Vol. OTS,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 63.5 deg C   EXP
Boiling Point 245 deg C   EXP
pKa Dissociation Constant 2 (none) 25 EXP
log P (octanol-water) 2.78 (none)   EXP
Water Solubility 620 mg/L 25 EXP
Vapor Pressure 0.015 mm Hg 25 EST
Henry's Law Constant 1.58E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.18E-12 cm3/molecule-sec 25 EST

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