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Substance Name: beta-Chloropivalic acid
RN: 13511-38-1
UNII: H601192X41
InChIKey: YBJGQSNSAWZZHL-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-Cl-O2

Molecular Weight

  • 136.577
 
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Names and Synonyms

Name of Substance

  • beta-Chloropivalic acid

Synonyms

  • 3-Chloro-2,2-dimethylpropionic acid
  • 3-Chloropivalic acid
  • beta-Chloro-alpha,alpha-dimethylpropionic acid
  • Chloropivalic acid
  • Chlorotrimethylacetic acid
  • EINECS 236-848-5
  • NSC 89696
  • UNII-H601192X41

Systematic Names

  • 3-Chloro-2,2-dimethylpropaneoic acid
  • Propanoic acid, 3-chloro-2,2-dimethyl-
  • Propionic acid, 3-chloro-2,2-dimethyl- (8CI)

Registry Numbers

CAS Registry Number

  • 13511-38-1

FDA UNII

  • H601192X41

System Generated Number

  • 0013511381

Structure Descriptors

InChI

1S/C5H9ClO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)

InChIKey

YBJGQSNSAWZZHL-UHFFFAOYSA-N

Smiles

O=C(O)C(CCl)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 41.5 deg C   EXP
log P (octanol-water) 1.700 (none)   EST
Atmospheric OH Rate Constant 1.29E-12 cm3/molecule-sec 25 EST

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