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Substance Name: Isobutanoyl chloride
RN: 79-30-1
UNII: 6617F0VJZC
InChIKey: DGMOBVGABMBZSB-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C4-H7-Cl-O

Molecular Weight

  • 106.5513
 
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Names and Synonyms

Name of Substance

  • Isobutanoyl chloride

Synonyms

  • 2-Methylpropanoyl chloride
  • 2-Methylpropionyl chloride
  • alpha-Methylpropionyl chloride
  • Chloro isopropyl ketone
  • Dimethylacetyl chloride
  • EC 201-194-1
  • EINECS 201-194-1
  • Isobutanoyl chloride
  • Isobutyric acid chloride
  • Isobutyroyl chloride
  • UNII-6617F0VJZC

Systematic Names

  • Isobutyryl chloride
  • Propanoyl chloride, 2-methyl-

Superlist Names

  • Isobutyryl chloride
  • Isobutyryl chloride [UN2395] [Flammable liquid]
  • UN2395

Registry Numbers

CAS Registry Number

  • 79-30-1

FDA UNII

  • 6617F0VJZC

Other Registry Number

  • 120126-85-4

System Generated Number

  • 0000079301

Structure Descriptors

InChI

1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3

InChIKey

DGMOBVGABMBZSB-UHFFFAOYSA-N

Smiles

CC(C)C(=O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LCLo inhalation 11600mg/m3/6H (11600mg/m3) LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
National Technical Information Service. Vol. OTS0555053,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.00E+01 deg C   EXP
Boiling Point 92 deg C   EXP
log P (octanol-water) 0.440 (none)   EST
Atmospheric OH Rate Constant 1.19E-12 cm3/molecule-sec 25 EST

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