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Substance Name: n-Propyl chloroformate
RN: 109-61-5
UNII: A5Y2T003JU
InChIKey: QQKDTTWZXHEGAQ-UHFFFAOYSA-N

Classification Code

  • Threshold Planning Quantity (TPQ) = 500 lb

Molecular Formula

  • C4-H7-Cl-O2

Molecular Weight

  • 122.55
 
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Names and Synonyms

Name of Substance

  • n-Propyl chloroformate
  • Propyl chlorocarbonate

Synonyms

  • 4-03-00-00024 (Beilstein Handbook Reference)
  • BRN 0906817
  • Carbonochloridic acid, propyl ester
  • EC 203-687-7
  • EINECS 203-687-7
  • Formic acid, chloro-, propyl ester
  • HSDB 5392
  • Propyl chlorocarbonate
  • Propyl chloroformate
  • UNII-A5Y2T003JU

Systematic Names

  • Carbonochloridic acid, propyl ester
  • Formic acid, chloro-, propyl ester
  • Propyl chloroformate

Superlist Names

  • Carbonochloridic acid, propyl ester
  • n-Propyl chloroformate
  • n-Propyl chloroformate [UN2740] [Poison]
  • Propyl chloroformate
  • UN2740

Registry Numbers

CAS Registry Number

  • 109-61-5

FDA UNII

  • A5Y2T003JU

System Generated Number

  • 0000109615

Structure Descriptors

InChI

1S/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3

InChIKey

QQKDTTWZXHEGAQ-UHFFFAOYSA-N

Smiles

O(C(=O)Cl)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 319ppm/1H (319ppm)   "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 4, Pg. 758, 1978.
mouse LD50 oral 650mg/kg (650mg/kg)   "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 4, Pg. 758, 1978.
mouse LD50 skin > 10mg/kg (10mg/kg)   "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 4, Pg. 758, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 115.2 deg C   EXP
log P (octanol-water) 1.120 (none)   EST
Vapor Pressure 20 mm Hg 25 EXP
Atmospheric OH Rate Constant 3.15E-12 cm3/molecule-sec 25 EST

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