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Substance Name: Perfluorobutyric acid
RN: 375-22-4
InChIKey: YPJUNDFVDDCYIH-UHFFFAOYSA-N

Note

  • Ion pairing reagent.

Classification Code

  • Indicators and Reagents

Molecular Formula

  • C4-H-F7-O2

Molecular Weight

  • 214.0359
 
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Names and Synonyms

Name of Substance

  • Perfluorobutyric acid

Synonyms

  • 4-02-00-00810 (Beilstein Handbook Reference)
  • BRN 1426882
  • EINECS 206-786-3
  • Heptafluoro-1-butanoic acid
  • Heptafluorobutanoic acid
  • Heptafluorobutyric acid
  • Kyselina heptafluormaselna
  • Kyselina heptafluormaselna [Czech]
  • NSC 820
  • Perfluorobutanoic acid
  • Perfluorobutyric acid
  • Perfluoropropanecarboxylic acid

Systematic Names

  • Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-
  • Butanoic acid, heptafluoro-
  • Butyric acid, heptafluoro-
  • Heptafluorobutyric acid

Registry Numbers

CAS Registry Number

  • 375-22-4

Related Registry Numbers

  • 2218-54-4 (hydrochloride salt)
  • 3794-64-7 (silver(1+) salt)

System Generated Number

  • 0000375224

Structure Descriptors

InChI

1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)

InChIKey

YPJUNDFVDDCYIH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 68uL/kg (0.068mL/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 56, 1950.
rabbit LD intravenous > 10uL/kg (0.01mL/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 56, 1950.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.75E+01 deg C   EXP
Boiling Point 121 deg C   EXP
log P (octanol-water) 2.430 (none)   EST
Atmospheric OH Rate Constant 5.20E-13 cm3/molecule-sec 25 EST

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