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Substance Name: tert-Butyl hypochlorite
RN: 507-40-4
UNII: LS2JTI16JZ
InChIKey: IXZDIALLLMRYOU-UHFFFAOYSA-N

Molecular Formula

  • C4-H9-Cl-O

Molecular Weight

  • 108.5671
 
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Names and Synonyms

Name of Substance

  • tert-Butyl hypochlorite

Synonyms

  • EINECS 208-072-7
  • UNII-LS2JTI16JZ

Systematic Names

  • Hypochlorous acid, 1,1-dimethylethyl ester
  • tert-Butyl hypochlorite

Superlist Names

  • tert-Butyl hypochlorite [UN3255] [Spontaneously combustible]
  • UN3255

Registry Numbers

CAS Registry Number

  • 507-40-4

FDA UNII

  • LS2JTI16JZ

System Generated Number

  • 0000507404

Structure Descriptors

InChI

1S/C4H9ClO/c1-4(2,3)6-5/h1-3H3

InChIKey

IXZDIALLLMRYOU-UHFFFAOYSA-N

Smiles

CC(C)(C)OCl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 77.5 deg C   EXP
log P (octanol-water) -1.310 (none)   EST
Atmospheric OH Rate Constant 4.08E-13 cm3/molecule-sec 25 EST

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