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Substance Name: Difluoroacetic acid
RN: 381-73-7
UNII: ZQK1C95K3N
InChIKey: PBWZKZYHONABLN-UHFFFAOYSA-N

Molecular Formula

  • C2-H2-F2-O2

Molecular Weight

  • 96.0318
 
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Names and Synonyms

Name of Substance

  • Difluoroacetic acid

Synonyms

  • 4-02-00-00455 (Beilstein Handbook Reference)
  • AI3-28548
  • BRN 1098588
  • Difluoroacetic acid
  • EC 206-839-0
  • EINECS 206-839-0
  • UNII-ZQK1C95K3N

Systematic Names

  • Acetic acid, 2,2-difluoro-
  • Acetic acid, difluoro-
  • Difluoroacetic acid

Registry Numbers

CAS Registry Number

  • 381-73-7

FDA UNII

  • ZQK1C95K3N

Other Registry Number

  • 1537910-57-8

Related Registry Numbers

  • 2218-52-2 (hydrochloride salt)
  • 383-88-0 (silver(+1) salt)

System Generated Number

  • 0000381737

Structure Descriptors

InChI

1S/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey

PBWZKZYHONABLN-UHFFFAOYSA-N

Smiles

C(C(=O)O)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03015,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1 deg C   EXP
Boiling Point 133 deg C   EXP
log P (octanol-water) -0.110 (none)   EST
Atmospheric OH Rate Constant 5.33E-13 cm3/molecule-sec 25 EST

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