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Substance Name: Allyl chloroformate
RN: 2937-50-0
UNII: 7672CAR559
InChIKey: CAEWJEXPFKNBQL-UHFFFAOYSA-N

Molecular Formula

  • C4-H5-Cl-O2

Molecular Weight

  • 120.535
 
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Names and Synonyms

Name of Substance

  • Allyl chloroformate

Synonyms

  • 2-Propenyl chloroformate
  • 4-03-00-00029 (Beilstein Handbook Reference)
  • Allyl chlorocarbonate
  • Allyl chloroformate
  • Allylester kyseliny chlormravenci
  • Allylester kyseliny chlormravenci [Czech]
  • BRN 0773915
  • Carbonochloridic acid, 2-propenyl ester
  • Chloroformic acid allyl ester
  • EINECS 220-916-6
  • Formic acid, chloro-, allyl ester
  • HSDB 621
  • UNII-7672CAR559

Systematic Names

  • Allyl chloroformate
  • Carbonochloridic acid, 2-propen-1-yl ester
  • Carbonochloridic acid, 2-propenyl ester
  • Formic acid, chloro-, allyl ester

Superlist Names

  • Allyl chloroformate
  • Allyl chloroformate [UN1722] [Poison]
  • Carbonochloridic acid, 2-propenyl ester
  • UN1722

Registry Numbers

CAS Registry Number

  • 2937-50-0

FDA UNII

  • 7672CAR559

Other Registry Number

  • 560088-71-3

System Generated Number

  • 0002937500

Structure Descriptors

InChI

1S/C4H5ClO2/c1-2-3-7-4(5)6/h2H,1,3H2

InChIKey

CAEWJEXPFKNBQL-UHFFFAOYSA-N

Smiles

O(C(=O)Cl)CC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 23100ug/m3 (23.1mg/m3) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 51, 1984.
mouse LD50 oral 210mg/kg (210mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 51, 1984.
rat LC50 inhalation 32400ug/m3 (32.4mg/m3) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 51, 1984.
rat LD50 oral 244mg/kg (244mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 51, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 109.5 deg C   EXP
log P (octanol-water) 0.980 (none)   EST
Water Solubility 1.45E+04 mg/L 25 EST
Vapor Pressure 20 mm Hg 25 EXP
Henry's Law Constant 3.09E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.78E-11 cm3/molecule-sec 25 EST

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