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Substance Name: 1-Butanol, 2,2,3,3,4,4,4-heptafluoro-
RN: 375-01-9
InChIKey: WXJFKAZDSQLPBX-UHFFFAOYSA-N

Molecular Formula

  • C4-H3-F7-O

Molecular Weight

  • 200.053
 
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Names and Synonyms

Synonyms

  • 1,1-Dihydroperfluorobutanol
  • 1,1-Dihydroperfluorobutyl alcohol
  • 1,1-H,H-Heptafluorobutanol
  • 1H,1H-Heptafluorobutanol-1
  • 2,2,3,3,4,4,4-Heptafluoro-1-butanol
  • 2,2,3,3,4,4,4-Heptafluorobutanol
  • 4-01-00-01547 (Beilstein Handbook Reference)
  • AI3-29339
  • alpha,alpha-Dihydroperfluorobutanol
  • BRN 1761907
  • Butanol, 2,2,3,3,4,4,4-heptafluoro-
  • EINECS 206-782-1
  • Heptafluorobutanol
  • NSC 60528

Systematic Names

  • 1-Butanol, 2,2,3,3,4,4,4-heptafluoro-
  • 2,2,3,3,4,4,4-Heptafluorobutan-1-ol

Registry Numbers

CAS Registry Number

  • 375-01-9

System Generated Number

  • 0000375019

Structure Descriptors

InChI

1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2

InChIKey

WXJFKAZDSQLPBX-UHFFFAOYSA-N

Smiles

C(C(CO)(F)F)(C(F)(F)F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 3630mg/kg (3630mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(10), Pg. 29, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 95 deg C   EXP
log P (octanol-water) 1.94 (none)   EXP
Water Solubility 3120 mg/L 25 EST
Vapor Pressure 33.1 mm Hg 25 EXP
Henry's Law Constant 7.78E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.12E-13 cm3/molecule-sec 25 EXP

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