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Substance Name: 1,3-Benzenediamine
RN: 108-45-2
UNII: OE624J2447
InChIKey: WZCQRUWWHSTZEM-UHFFFAOYSA-N

Molecular Formula

  • C6-H8-N2

Molecular Weight

  • 108.1432
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • TWA 0.1 mg/m3; Not classifiable as a human carcinogen

Names and Synonyms

Name of Substance

  • 1,3-Benzenediamine
  • 1,3-Phenylenediamine
  • 3-Phenylenediamine
  • m-Phenylenediamine

Synonyms

  • 1,3-Diaminobenzene
  • 1,3-Phenylenediamine
  • 3-Aminoaniline
  • 4-13-00-00079 (Beilstein Handbook Reference)
  • AI3-52607
  • APCO 2330
  • Benzene, 1,3-diamino-
  • BRN 0471357
  • C.I. Developer 11
  • CCRIS 1236
  • CI Developer 11
  • Developer 11
  • Developer C
  • Developer H
  • Developer M
  • Direct Brown BR
  • Direct Brown GG
  • EC 203-584-7
  • EINECS 203-584-7
  • HSDB 5384
  • m-Aminoaniline
  • m-Benzenediamine
  • m-Diaminobenzene
  • m-Fenylendiamin
  • m-Fenylendiamin [Czech]
  • m-Phenylenediamine
  • meta-Aminoaniline
  • meta-Benzenediamine
  • meta-Diaminobenzene
  • Metaphenylenediamine
  • NSC 4776
  • UNII-OE624J2447

Systematic Names

  • 1,3-Benzenediamine
  • m-Phenylenediamine

Superlist Names

  • 1,3-Benzenediamine
  • 1,3-Phenylenediamine
  • m-Phenylene diamine
  • m-Phenylenediamine
  • m-Phenylenediamine [UN1673] [Keep away from food]
  • Phenylenediamine, meta-
  • UN1673

Registry Numbers

CAS Registry Number

  • 108-45-2

FDA UNII

  • OE624J2447

Other Registry Number

  • 1274866-89-5

System Generated Number

  • 0000108452

Structure Descriptors

InChI

1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2

InChIKey

WZCQRUWWHSTZEM-UHFFFAOYSA-N

Smiles

c1c(cccc1N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 562mg/kg (562mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
cat LDLo oral 300mg/kg (300mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923.
dog LDLo intravenous 17mg/kg (17mg/kg)   Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923.
dog LDLo subcutaneous 100mg/kg (100mg/kg)   National Technical Information Service. Vol. OTS0555804,
guinea pig LD50 oral 450mg/kg (450mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
guinea pig LD50 unreported 450mg/kg (450mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 46, 1987.
mouse LD50 oral 67700ug/kg (67.7mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
mouse LD50 subcutaneous 90mg/kg (90mg/kg)   Kyushu Journal of Medical Science. Vol. 13, Pg. 175, 1962.
mouse LD50 unreported 65300ug/kg (65.3mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 46, 1987.
mouse LDLo intraperitoneal 400mg/kg (400mg/kg)   Revue Belge de Pathologie et de Medecine Experimentale. Vol. 22, Pg. 1, 1952.
rabbit LD50 oral 437mg/kg (437mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
rabbit LD50 unreported 438mg/kg (438mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 46, 1987.
rabbit LDLo skin 1500mg/kg (1500mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION
National Technical Information Service. Vol. OTS0555804,
rabbit LDLo subcutaneous 200mg/kg (200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923.
rat LD50 intraperitoneal 283mg/kg (283mg/kg)   Journal of Toxicology and Environmental Health. Vol. 2, Pg. 657, 1977.
rat LD50 oral 280mg/kg (280mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
rat LD50 unreported 351mg/kg (351mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 46, 1987.
rat LDLo subcutaneous 80mg/kg (80mg/kg)   National Technical Information Service. Vol. OTS0555804,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 63.5 deg C   EXP
Boiling Point 285 deg C   EXP
pKa Dissociation Constant 4.98 (none)   EXP
log P (octanol-water) -0.33 (none)   EXP
Water Solubility 2.38E+05 mg/L 20 EXP
Henry's Law Constant 1.25E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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