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Substance Name: Methyl isocyanate
RN: 624-83-9
UNII: C588JJ4BV9
InChIKey: HAMGRBXTJNITHG-UHFFFAOYSA-N

Molecular Formula

  • C2-H3-N-O

Molecular Weight

  • 57.0517
 

Classification Codes

Classification Codes

  • Antisickling Agents
  • Hematologic Agents
  • Human Data
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant

Superlist Classification Codes

  • Reportable Quantity (RQ) = 10 lb
  • Threshold Planning Quantity (TPQ) = 500 lb
  • TWA (0.02 ppm); skin
  • TWA 0.02 ppm (0.05 mg/m3); skin

Names and Synonyms

Name of Substance

  • Methyl isocyanate

Synonyms

  • 4-04-00-00247 (Beilstein Handbook Reference)
  • AI3-28280
  • BRN 0605318
  • CCRIS 1385
  • EINECS 210-866-3
  • HSDB 1165
  • Iso-cyanatomethane
  • Isocyanate de methyle
  • Isocyanate de methyle [French]
  • Isocyanate, methyl-
  • Isocyanic acid, methyl ester
  • Methane, isocyanato-
  • Methyl carbonimide
  • Methyl isocyanat
  • Methyl isocyanat [German]
  • Methyl isocyanat [German]
  • Methyl isocyanate
  • Methyl isocyanide
  • Methylcarbylamine
  • Methylisocyanaat
  • Methylisocyanaat [Dutch]
  • Methylisocyanate
  • Methylisokyanat
  • Methylisokyanat [Czech]
  • Metil isocianato
  • Metil isocianato [Italian]
  • MIC [Isocyanate]
  • NSC 64323
  • RCRA waste number P064
  • TL 1450
  • UN 2480
  • UNII-C588JJ4BV9

Systematic Names

  • Isocyanic acid, methyl ester
  • Methane, isocyanato-
  • Methyl isocyanate

Superlist Names

  • Isocyanic acid, methyl ester
  • Methane, isocyanato-
  • Methyl isocyanate
  • Methyl isocyanate [UN2480] [Poison]
  • RCRA waste no. P064
  • UN2480

Registry Numbers

CAS Registry Number

  • 624-83-9

FDA UNII

  • C588JJ4BV9

System Generated Number

  • 0000624839

Structure Descriptors

InChI

1S/C2H3NO/c1-3-2-4/h1H3

InChIKey

HAMGRBXTJNITHG-UHFFFAOYSA-N

Smiles

CN=C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LC50 inhalation 5400ppb/6H (5.4ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Fundamental and Applied Toxicology. Vol. 6, Pg. 747, 1986.
human TCLo inhalation 2ppm (2ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION		 Archiv fuer Toxikologie. Vol. 20, Pg. 235, 1964.
mouse LC50 inhalation 12200ppb/6H (12.2ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Fundamental and Applied Toxicology. Vol. 6, Pg. 747, 1986.
mouse LD50 oral 120mg/kg (120mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
mouse LD50 skin 1820mg/kg (1820mg/kg)   Yakkyoku. Pharmacy. Vol. 38, Pg. 391, 1987.
mouse LD50 subcutaneous 81900ug/kg (81.9mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)		 Indian Journal of Experimental Biology. Vol. 25, Pg. 531, 1987.
rabbit LD50 skin 220uL/kg (0.22mL/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0529151,
rabbit LD50 subcutaneous 126mg/kg (126mg/kg)   Toxicology. Vol. 51, Pg. 223, 1988.
rat LC50 inhalation 6100ppb/6H (6.1ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE		 Fundamental and Applied Toxicology. Vol. 6, Pg. 747, 1986.
rat LD50 oral 51500ug/kg (51.5mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)		 Indian Journal of Experimental Biology. Vol. 25, Pg. 531, 1987.
rat LD50 skin 2780mg/kg (2780mg/kg)   Yakkyoku. Pharmacy. Vol. 38, Pg. 391, 1987.
rat LD50 subcutaneous 261mg/kg (261mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)		 Indian Journal of Experimental Biology. Vol. 25, Pg. 531, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.50E+01 deg C   EXP
Boiling Point 39.5 deg C   EXP
log P (octanol-water) 0.790 (none)   EST
Water Solubility 2.92E+04 mg/L 25 EST
Vapor Pressure 348 mm Hg 20 EXP
Henry's Law Constant 9.26E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.36E-13 cm3/molecule-sec 25 EST

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