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Substance Name: Phenyl isocyanate
RN: 103-71-9
UNII: 196GO6BSOH
InChIKey: DGTNSSLYPYDJGL-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H5-N-O

Molecular Weight

  • 119.1225
 
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Names and Synonyms

Name of Substance

  • Phenyl isocyanate

Synonyms

  • AI3-28250
  • Benzene, isocyanato-
  • Carbanil
  • EC 203-137-6
  • EINECS 203-137-6
  • Fenylisokyanat
  • Fenylisokyanat [Czech]
  • HSDB 5356
  • Isocyanatobenzene
  • Isocyanic acid, phenyl ester
  • Karbanil
  • Karbanil [Czech]
  • Mondur P
  • NSC 74454
  • Phenyl carbonimide
  • Phenyl isocyanate
  • Phenylcarbimide
  • UNII-196GO6BSOH

Systematic Names

  • Benzene, isocyanato-
  • Isocyanic acid, phenyl ester (8CI)
  • Phenyl isocyanate

Superlist Names

  • Phenyl isocyanate
  • Phenyl isocyanate [UN2487] [Poison]
  • UN2487

Registry Numbers

CAS Registry Number

  • 103-71-9

FDA UNII

  • 196GO6BSOH

Other Registry Number

  • 1025436-18-3

System Generated Number

  • 0000103719

Structure Descriptors

InChI

1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H

InChIKey

DGTNSSLYPYDJGL-UHFFFAOYSA-N

Smiles

c1ccc(cc1)N=C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0528337,
mouse LD50 oral 196mg/kg (196mg/kg)   Ecotoxicology and Environmental Safety. Vol. 17, Pg. 258, 1989.
mouse LD50 subcutaneous 1400mg/kg (1400mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967.
rabbit LD50 skin 7130mg/kg (7130mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
rat LC50 inhalation 22mg/m3/4H (22mg/m3) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
National Technical Information Service. Vol. OTS0530489,
rat LD50 intraperitoneal 100mg/kg (100mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
National Technical Information Service. Vol. OTS0528337,
rat LD50 oral 800mg/kg (800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
National Technical Information Service. Vol. OTS0528337,
rat LD50 skin 5mL/kg (5mL/kg) BEHAVIORAL: AGGRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0528430,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 163 deg C   EXP
log P (octanol-water) 2.590 (none)   EST
Water Solubility 617 mg/L 25 EST
Vapor Pressure 2.57 mm Hg 25 EXP
Henry's Law Constant 2.33E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.14E-12 cm3/molecule-sec 25 EST

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