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Substance Name: Methyl chloroformate
RN: 79-22-1
UNII: RC6VA8OB2N
InChIKey: XMJHPCRAQCTCFT-UHFFFAOYSA-N

Molecular Formula

  • C2-H3-Cl-O2

Molecular Weight

  • 94.4967
 

Classification Codes

Classification Code

  • Human Data

Superlist Classification Codes

  • Reportable Quantity (RQ) = 1000 lb
  • Threshold Planning Quantity (TPQ) = 500 lb

Names and Synonyms

Name of Substance

  • Methyl chloroformate

Synonyms

  • 4-03-00-00023 (Beilstein Handbook Reference)
  • BRN 0605437
  • Carbonochloridic acid, methyl ester
  • Chlorameisensaeure methylester
  • Chlorameisensaeure methylester [German]
  • Chlorocarbonate de methyle
  • Chlorocarbonate de methyle [French]
  • Chlorocarbonic acid methyl ester
  • Chloroformiate de methyle
  • Chloroformiate de methyle [French]
  • Chloroformic acid methyl ester
  • EC 201-187-3
  • EINECS 201-187-3
  • Formic acid, chloro-, methyl ester
  • HSDB 1116
  • K-Stoff
  • MCF
  • Methoxycarbonyl chloride
  • Methyl chlorocarbonate
  • Methylchloorformiaat
  • Methylchloorformiaat [Dutch]
  • Methylester kyseliny chlormravenci
  • Methylester kyseliny chlormravenci [Czech]
  • Methylester kyseliny chloruhlicite
  • Methylester kyseliny chloruhlicite [Czech]
  • Metilcloroformiato
  • Metilcloroformiato [Italian]
  • RCRA waste number U156
  • TL 438
  • UNII-RC6VA8OB2N

Systematic Names

  • Carbonochloridic acid, methyl ester
  • Methyl chloroformate

Superlist Names

  • Carbonochloridic acid, methyl ester
  • Formic acid, chloro-, methyl ester
  • Methyl chlorocarbonate
  • Methyl chloroformate
  • Methyl chloroformate [UN1238] [Poison]
  • RCRA waste no. U156
  • UN1238

Registry Numbers

CAS Registry Number

  • 79-22-1

FDA UNII

  • RC6VA8OB2N

System Generated Number

  • 0000079221

Structure Descriptors

InChI

1S/C2H3ClO2/c1-5-2(3)4/h1H3

InChIKey

XMJHPCRAQCTCFT-UHFFFAOYSA-N

Smiles

C(OC)(=O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 1500mg/m3/30M (1500mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(5), Pg. 97, 1977.
guinea pig LD50 oral 140mg/kg (140mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(5), Pg. 97, 1977.
man TCLo inhalation 5mg/m3 (5mg/m3) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(5), Pg. 97, 1977.
mouse LC50 inhalation 185mg/m3/2H (185mg/m3) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(5), Pg. 97, 1977.
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 oral 67mg/kg (67mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(5), Pg. 97, 1977.
mouse LD50 skin 1750mg/kg (1750mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(5), Pg. 97, 1977.
rabbit LD50 skin 7120mg/kg (7120mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
rat LC50 inhalation 88ppm/1H (88ppm)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
rat LD50 oral 60mg/kg (60mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(5), Pg. 97, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.10E+01 deg C   EXP
Boiling Point 70.5 deg C   EXP
log P (octanol-water) 0.140 (none)   EST
Water Solubility 9.28E+04 mg/L 25 EST
Vapor Pressure 159 mm Hg 25 EST
Henry's Law Constant 2.35E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.18E-13 cm3/molecule-sec 25 EST

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