Heptanoic acid, 4,6,6-trichloro-7,7,7-trifluoro-3,3-dimethyl-, methyl ester

CAS Registry Number®

72714-62-6
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CAS Name

Heptanoic acid, 4,6,6-trichloro-7,7,7-trifluoro-3,3-dimethyl-, methyl ester

Molecular Formula

C10H14Cl3F3O2

Molecular Mass

329.57

Cite this Page

Heptanoic acid, 4,6,6-trichloro-7,7,7-trifluoro-3,3-dimethyl-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72714-62-6 (retrieved 2024-08-29) (CAS RN: 72714-62-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H14Cl3F3O2/c1-8(2,5-7(17)18-3)6(11)4-9(12,13)10(14,15)16/h6H,4-5H2,1-3H3

InChIKey

InChIKey=BNTZFXLKSXUEBE-UHFFFAOYSA-N

SMILES

C(C(CC(C(F)(F)F)(Cl)Cl)Cl)(CC(OC)=O)(C)C

Canonical SMILES

O=C(OC)CC(C)(C)C(Cl)CC(Cl)(Cl)C(F)(F)F

Other Names for this Substance

  • Heptanoic acid, 4,6,6-trichloro-7,7,7-trifluoro-3,3-dimethyl-, methyl ester
  • Methyl 4,6,6-trichloro-7,7,7-trifluoro-3,3-dimethylheptanoate
  • Methyl 3,3-dimethyl-4,6,6-trichloro-7,7,7-trifluoroheptanoate

Deleted or Replaced CAS Registry Numbers

157916-34-2