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Substance Name: Isopropyl chloroformate
RN: 108-23-6
UNII: 8LG1G18VXR
InChIKey: IVRIRQXJSNCSPQ-UHFFFAOYSA-N

Molecular Formula

  • C4-H7-Cl-O2

Molecular Weight

  • 122.55
 

Classification Codes

Classification Code

  • Skin / Eye Irritant

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 1000 lb
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Names and Synonyms

Name of Substance

  • Isopropyl chloroformate

Synonyms

  • 4-03-00-00024 (Beilstein Handbook Reference)
  • AI3-26269
  • BRN 0506416
  • Carbonochloride acid, 1-methylethyl ester
  • Carbonochloridic acid, 1-methylethyl ester
  • Chloroformic acid isopropyl ester
  • EC 203-563-2
  • EINECS 203-563-2
  • Formic acid, chloro-, isopropyl ester
  • HSDB 2848
  • Isopropyl chlorocarbonate
  • Isopropyl chloroformate
  • Isopropyl chloromethanoate
  • Isopropylester kyseliny chlormravenci
  • Isopropylester kyseliny chlormravenci [Czech]
  • UNII-8LG1G18VXR

Systematic Names

  • Carbonochloridic acid, 1-methylethyl ester
  • Formic acid, chloro-, isopropyl ester
  • Isopropyl chloroformate

Superlist Names

  • Carbonochloridic acid, 1-methylethyl ester
  • Formic acid, chloro-, isopropyl ester
  • Isopropyl chloroformate
  • Isopropyl chloroformate [UN2407] [Poison]
  • UN2407

Registry Numbers

CAS Registry Number

  • 108-23-6

FDA UNII

  • 8LG1G18VXR

Other Registry Number

  • 94274-22-3

System Generated Number

  • 0000108236

Structure Descriptors

InChI

1S/C4H7ClO2/c1-3(2)7-4(5)6/h3H,1-2H3

InChIKey

IVRIRQXJSNCSPQ-UHFFFAOYSA-N

Smiles

C(OC(=O)Cl)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 178mg/kg (178mg/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 12mg/kg (12mg/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.
rabbit LD50 skin 11300mg/kg (11300mg/kg)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.
rat LCLo inhalation 200ppm/5H (200ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA British Journal of Industrial Medicine. Vol. 27, Pg. 1, 1970.
rat LD50 oral 1070mg/kg (1070mg/kg)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 105 deg C   EXP
log P (octanol-water) 1.040 (none)   EST
Water Solubility 1.26E+04 mg/L 25 EST
Henry's Law Constant 4.15E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.44E-12 cm3/molecule-sec 25 EST

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