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Substance Name: Isobutyl chlorocarbonate
RN: 543-27-1
UNII: 6S785TC0OB
InChIKey: YOETUEMZNOLGDB-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-Cl-O2

Molecular Weight

  • 136.5771
 
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Names and Synonyms

Name of Substance

  • Isobutyl chlorocarbonate
  • Isobutyl chloroformate

Synonyms

  • 2-Methylpropyl carbonochloridate
  • 2-Methylpropyl chloroformate
  • Chlorocarbonic acid isobutyl ester
  • EINECS 208-840-1
  • Isobutyl chlorocarbonate
  • Isobutyl chloroformate
  • NSC 8429
  • UNII-6S785TC0OB

Systematic Names

  • Carbonochloridic acid, 2-methylpropyl ester
  • Formic acid, chloro-, isobutyl ester (8CI)
  • Isobutyl chloroformate

Superlist Names

  • Isobutyl chloroformate [NA2742] [Poison]
  • NA2742

Registry Numbers

CAS Registry Number

  • 543-27-1

FDA UNII

  • 6S785TC0OB

System Generated Number

  • 0000543271

Structure Descriptors

InChI

1S/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3

InChIKey

YOETUEMZNOLGDB-UHFFFAOYSA-N

Smiles

C(COC(=O)Cl)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 128.8 deg C   EXP
log P (octanol-water) 1.540 (none)   EST
Atmospheric OH Rate Constant 4.56E-12 cm3/molecule-sec 25 EST

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