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Substance Name: o-Phenylenediamine
RN: 95-54-5
UNII: 8B713N8Q0F
InChIKey: GEYOCULIXLDCMW-UHFFFAOYSA-N

Molecular Formula

  • C6-H8-N2

Molecular Weight

  • 108.1432
 

Classification Codes

Classification Code

  • Mutation Data

Superlist Classification Code

  • TWA 0.1 mg/m3; Confirmed animal carcinogen with unknown relevance to humans

Names and Synonyms

Name of Substance

  • 1,2-Diaminobenzene
  • o-Phenylenediamine

Synonyms

  • 1,2-Benzenediamine
  • 1,2-Diaminobenzene
  • 1,2-Fenylendiamin
  • 1,2-Fenylendiamin [Czech]
  • 1,2-Phenylenediamine
  • 2-Aminoaniline
  • 4-13-00-00038 (Beilstein Handbook Reference)
  • AI3-24343
  • BRN 0606074
  • C.I. 76010
  • C.I. Oxidation Base 16
  • CCRIS 508
  • CI 76010
  • CI Oxidation Base 16
  • EC 202-430-6
  • EINECS 202-430-6
  • EK 1700
  • HSDB 2893
  • IK 3
  • NSC 5354
  • o-Benzenediamine
  • o-Diaminobenzene
  • o-Fenylendiamin
  • o-Fenylendiamin [Czech]
  • OPDA
  • Orthamine
  • PODA
  • SQ 15500
  • UNII-8B713N8Q0F

Systematic Names

  • 1,2-Benzenediamine
  • o-Phenylenediamine

Superlist Names

  • 1,2-Phenylenediamine
  • o-Phenylene diamine
  • o-Phenylenediamine
  • o-Phenylenediamine [UN1673] [Keep away from food]
  • Phenylenediamine, o-, and its salt
  • Phenylenediamine, ortho-
  • UN1673

Registry Numbers

CAS Registry Number

  • 95-54-5

FDA UNII

  • 8B713N8Q0F

Related Registry Number

  • 615-28-1 (di-hydrochloride)

System Generated Number

  • 0000095545

Structure Descriptors

InChI

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

InChIKey

GEYOCULIXLDCMW-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 133mg/kg (133mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
cat LDLo oral 250mg/kg (250mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 1214, 1991.
guinea pig LD50 oral 360mg/kg (360mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
guinea pig LD50 unreported 360mg/kg (360mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 73, 1986.
mouse LC50 inhalation > 91mg/m3/4H (91mg/m3)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 1214, 1991.
mouse LD50 intraperitoneal 245mg/kg (245mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 oral 366mg/kg (366mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
mouse LD50 subcutaneous 450mg/kg (450mg/kg)   Kyushu Journal of Medical Science. Vol. 13, Pg. 175, 1962.
mouse LD50 unreported 336mg/kg (336mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(6), Pg. 78, 1985.
rabbit LDLo skin 1500mg/kg (1500mg/kg) KIDNEY, URETER, AND BLADDER: HEMATURIA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0571626,
rat LC50 inhalation 1873mg/m3 (1873mg/m3) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 73, 1986.
rat LD50 intraperitoneal 516mg/kg (516mg/kg)   Journal of Toxicology and Environmental Health. Vol. 2, Pg. 657, 1977.
rat LD50 oral 510mg/kg (510mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE WEAKNESS
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(9), Pg. 50, 1988.
rat LD50 skin > 5gm/kg (5000mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 1214, 1991.
rat LD50 unreported 660mg/kg (660mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 73, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 102.5 deg C   EXP
Boiling Point 257 deg C   EXP
log P (octanol-water) 0.15 (none)   EXP
Water Solubility 4.04E+04 mg/L 35 EXP
Henry's Law Constant 7.20E-09 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.