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Substance Name: 3,4-Dichloroaniline
RN: 95-76-1
UNII: 20KR9WJ4NS
InChIKey: SDYWXFYBZPNOFX-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C6-H5-Cl2-N

Molecular Weight

  • 162.018
 
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Names and Synonyms

Name of Substance

  • 3,4-Dichloroaniline

Synonyms

  • 1-Amino-3,4-dichlorobenzene
  • 3,4-DCA
  • 3,4-Dichloranilin
  • 3,4-Dichloraniline
  • 3,4-Dichloroaniline
  • 3,4-Dichlorobenzenamine
  • 3,4-Dichlorophenylamine
  • 4,5-Dichloroaniline
  • 4-12-00-01257 (Beilstein Handbook Reference)
  • 4-Amino-1,2-dichlorobenzene
  • Aniline, 3,4-dichloro-
  • Benzenamine, 3,4-dichloro-
  • BRN 0636837
  • CCRIS 2395
  • DCA
  • DCA (VAN)
  • EC 202-448-4
  • EINECS 202-448-4
  • HSDB 1319
  • LY 004892
  • m.p-Dichloroaniline
  • NSC 247
  • UNII-20KR9WJ4NS

Systematic Names

  • 3,4-Dichloroaniline
  • Aniline, 3,4-dichloro-
  • Benzenamine, 3,4-dichloro-

Superlist Names

  • 3,4-Dichloroaniline
  • Aniline, 3,4-dichloro-
  • Benzenamine, 3,4-dichloro-

Registry Numbers

CAS Registry Number

  • 95-76-1

FDA UNII

  • 20KR9WJ4NS

System Generated Number

  • 0000095761

Structure Descriptors

InChI

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

InChIKey

SDYWXFYBZPNOFX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 237mg/kg (237mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
cat LD50 skin 700mg/kg (700mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(5), Pg. 29, 1969.
guinea pig LD50 oral 675mg/kg (675mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 33(4), Pg. 8, 1968.
mouse LD50 intraperitoneal 310mg/kg (310mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Labo-Pharma-Problemes et Techniques. Vol. 27, Pg. 306, 1979.
mouse LD50 oral 740mg/kg (740mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(5), Pg. 29, 1969.
rabbit LD50 oral 675mg/kg (675mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 33(4), Pg. 8, 1968.
rabbit LDLo skin 300mg/kg (300mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
National Technical Information Service. Vol. OTS0571586,
rat LCLo inhalation 65mg/m3/4H (65mg/m3)   Office of Toxic Substances Report. Vol. OTS,
rat LD50 intraperitoneal 280mg/kg (280mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: EXCITEMENT
Labo-Pharma-Problemes et Techniques. Vol. 27, Pg. 306, 1979.
rat LD50 oral 545mg/kg (545mg/kg)   Office of Toxic Substances Report. Vol. OTS,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 72 deg C   EXP
Boiling Point 272 deg C   EXP
pKa Dissociation Constant 2.968 (none) 25 EXP
log P (octanol-water) 2.69 (none)   EXP
Water Solubility 92 mg/L 20 EXP
Vapor Pressure 0.00632 mm Hg 25 EXP
Henry's Law Constant 1.46E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.21E-11 cm3/molecule-sec 25 EST

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