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Substance Name: Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester
RN: 356-27-4
InChIKey: JVHJRIQPDBCRRE-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-F7-O2

Molecular Weight

  • 242.089
 
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Names and Synonyms

Synonyms

  • 4-02-00-00813 (Beilstein Handbook Reference)
  • AI3-52654
  • BRN 1794634
  • Butanoic acid, heptafluoro-, ethyl ester
  • EINECS 206-602-1
  • Ethyl heptafluorobutanoate
  • Ethyl heptafluorobutyrate
  • Ethyl perfluorobutanoate
  • Ethyl perfluorobutyrate
  • Heptafluorobutyric acid ethyl ester
  • NSC 3639

Systematic Names

  • Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester
  • Butanoic acid, heptafluoro-, ethyl ester
  • Butyric acid, heptafluoro-, ethyl ester
  • Ethyl heptafluorobutyrate

Registry Numbers

CAS Registry Number

  • 356-27-4

System Generated Number

  • 0000356274

Structure Descriptors

InChI

1S/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3

InChIKey

JVHJRIQPDBCRRE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 intraperitoneal 250mg/kg (250mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 299, 1950.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 95 deg C   EXP
log P (octanol-water) 3.210 (none)   EST
Atmospheric OH Rate Constant 9.14E-13 cm3/molecule-sec 25 EST

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