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Substance Name: Benzyl chloroformate
RN: 501-53-1
UNII: 170BP0DD31
InChIKey: HSDAJNMJOMSNEV-UHFFFAOYSA-N

Note

  • Amino group reagent.

Molecular Formula

  • C8-H7-Cl-O2

Molecular Weight

  • 170.5943
 
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Names and Synonyms

Name of Substance

  • Benzyl chloroformate
  • Carbobenzoxy chloride

Synonyms

  • Benzyl carbonochloridate
  • Benzyl chlorocarbonate
  • Benzylcarbonochloridate
  • Benzylcarbonyl chloride
  • Benzyloxycarbonyl chloride
  • Carbobenzoxy chloride
  • Carbobenzyloxy chloride
  • Carbonochloridic acid, phenylmethyl ester
  • CCRIS 2599
  • Chloroformic acid, benzyl ester
  • EC 207-925-0
  • EINECS 207-925-0
  • Formic acid, chloro-, benzyl ester
  • HSDB 364
  • NSC 83466
  • UNII-170BP0DD31

Systematic Names

  • Benzyl chloroformate
  • Carbonochloridic acid, phenylmethyl ester
  • Formic acid, chloro-, benzyl ester (8CI)

Superlist Names

  • Benzyl chlorocarbonate
  • Benzyl chloroformate
  • Benzyl chloroformate [UN1739] [Corrosive]
  • Formic acid, chloro-, benzyl ester
  • UN1739

Registry Numbers

CAS Registry Number

  • 501-53-1

FDA UNII

  • 170BP0DD31

Other Registry Numbers

  • 728010-31-9
  • 94274-21-2
  • 960053-05-8

System Generated Number

  • 0000501531

Structure Descriptors

InChI

1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

HSDAJNMJOMSNEV-UHFFFAOYSA-N

Smiles

c1(COC(=O)Cl)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation 590mg/m3/4H (590mg/m3)   National Technical Information Service. Vol. OTS0539682,
rat LD50 oral 3gm/kg (3000mg/kg)   National Technical Information Service. Vol. OTS0539682,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 152 deg C   EXP
log P (octanol-water) 1.840 (none)   EST
Water Solubility 1630 mg/L 25 EST
Henry's Law Constant 1.90E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.34E-12 cm3/molecule-sec 25 EST

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