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Substance Name: 1,4-Benzenediamine
RN: 106-50-3
UNII: U770QIT64J
InChIKey: CBCKQZAAMUWICA-UHFFFAOYSA-N

Note

  • Agent hair dye responsible for contact dermatitis.

Molecular Formula

  • C6-H8-N2

Molecular Weight

  • 108.1432
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Coloring Agents
  • Human Data
  • Insecticide
  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 5000 lb
  • TWA 0.1 mg/m3; Not classifiable as a human carcinogen
  • TWA 0.1 mg/m3; skin

Names and Synonyms

Name of Substance

  • 1,4-Benzenediamine
  • 1,4-Phenylenediamine
  • 4-Phenylenediamine
  • CI 76060
  • p-Phenylenediamine

Synonyms

  • 1,4-Diaminobenzene
  • 1,4-Phenylenediamine
  • 4-Aminoaniline
  • 6PPD
  • AI3-00710
  • BASF ursol D
  • Benzofur D
  • C.I. 76060
  • C.I. Developer 13
  • C.I. Oxidation Base 10
  • CCRIS 509
  • CI 76060
  • CI Developer 13
  • CI Oxidation Base 10
  • Developer 13
  • Developer PF
  • Durafur Black R
  • EC 203-404-7
  • EINECS 203-404-7
  • Fenylenodwuamina
  • Fenylenodwuamina [Polish]
  • Fouramine D
  • Fourrine 1
  • Fourrine D
  • Fur Black 41866
  • Fur Black 41867
  • FUR Brown 41866
  • Fur Yellow
  • Furro D
  • Futramine D
  • HSDB 2518
  • Nako H
  • NSC 4777
  • Orsin
  • Oxidation Base 10
  • p-Aminoaniline
  • p-Benzenediamine
  • p-Diaminobenzene
  • p-Fenylendiamin
  • p-Fenylendiamin [Czech]
  • p-Phenyldiamine
  • p-Phenylenediamine
  • PARA
  • Paraphenylen-diamine
  • Paraphenylenediamine
  • Pelagol D
  • Pelagol DR
  • Pelagol Grey D
  • Peltol D
  • Phenylenediamine
  • Renal PF
  • Rodol D
  • Santoflex IC
  • Santoflex LC
  • Tertral D
  • UNII-U770QIT64J
  • Ursol D
  • USAF EK-394
  • Vulkanox 4020
  • Zoba Black D

Systematic Names

  • 1,4-Benzenediamine
  • p-Phenylenediamine

Superlist Names

  • 1,4-Benzenediamine
  • p-Phenylenediamine
  • p-Phenylenediamine [UN1673] [Keep away from food]
  • Phenylenediamine, para-
  • UN1673

Registry Numbers

CAS Registry Number

  • 106-50-3

FDA UNII

  • U770QIT64J

Other Registry Numbers

  • 56481-76-6
  • 82785-55-5

Related Registry Numbers

  • 16245-77-5 (monosulfate)
  • 540-24-9 (mono-hydrochloride)
  • 624-18-0 (di-hydrochloride)
  • 62654-17-5 (monooxalate)

System Generated Number

  • 0000106503

Structure Descriptors

InChI

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

InChIKey

CBCKQZAAMUWICA-UHFFFAOYSA-N

Smiles

Nc1ccc(N)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 100mg/kg (100mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
cat LDLo oral 100mg/kg (100mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP		 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) BEHAVIORAL: COMA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

GASTROINTESTINAL: NAUSEA OR VOMITING		 U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 40, 1941.
guinea pig LD50 oral 145mg/kg (145mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
guinea pig LD50 unreported 145mg/kg (145mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 46, 1987.
man TDLo oral 71mg/kg (71mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE WEAKNESS		 Human Toxicology. Vol. 8, Pg. 345, 1989.
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 unreported 331mg/kg (331mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(6), Pg. 78, 1985.
mouse LDLo oral 100mg/kg (100mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 23(5), Pg. 14, 1958.
mouse LDLo subcutaneous 140mg/kg (140mg/kg)   Journal of the Society of Cosmetic Chemists. Vol. 12, Pg. 500, 1961.
quail LD50 oral 100mg/kg (100mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
rabbit LDLo intraperitoneal 150mg/kg (150mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of Infectious Diseases. Vol. 42, Pg. 473, 1928.
rabbit LDLo intravenous 300mg/kg (300mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS		 Archives of Internal Medicine. Vol. 36, Pg. 724, 1925.
rabbit LDLo oral 250mg/kg (250mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP		 Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923.
rabbit LDLo skin 5gm/kg (5000mg/kg)   Journal of Toxicology and Environmental Health. Vol. 2, Pg. 657, 1977.
rabbit LDLo subcutaneous 200mg/kg (200mg/kg)   Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923.
rabbit LDLo subcutaneous 200mg/kg (200mg/kg) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION		 Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923.
rat LC50 inhalation 920mg/m3/4H (920mg/m3) KIDNEY, URETER, AND BLADDER: HEMATURIA

BEHAVIORAL: GENERAL ANESTHETIC

GASTROINTESTINAL: NAUSEA OR VOMITING		 National Technical Information Service. Vol. OTS0530403,
rat LD50 intraperitoneal 37mg/kg (37mg/kg)   Journal of Toxicology and Environmental Health. Vol. 2, Pg. 657, 1977.
rat LD50 oral 80mg/kg (80mg/kg)   Journal of Toxicology and Environmental Health. Vol. 2, Pg. 657, 1977.
rat LD50 unreported 133mg/kg (133mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 46, 1987.
rat LDLo intravenous 50mg/kg (50mg/kg)   Bulletin de la Societe Royale des Sciences de Liege. Vol. 41, Pg. 302, 1972.
rat LDLo subcutaneous 170mg/kg (170mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 146 deg C   EXP
Boiling Point 267 deg C   EXP
pKa Dissociation Constant 6.16 (none) 25 EXP
log P (octanol-water) -0.3 (none)   EXP
Water Solubility 3.70E+04 mg/L 23 EXP
Vapor Pressure 5.00E-03 mm Hg 25 EST
Henry's Law Constant 6.73E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.76E-10 cm3/molecule-sec 25 EST

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