Ethyl 2,3,4,5,6-pentafluorobenzoate

CAS Registry Number®

4522-93-4

CAS Name

Ethyl 2,3,4,5,6-pentafluorobenzoate

Molecular Formula

C9H5F5O2

Molecular Mass

240.13

Cite this Page

Ethyl 2,3,4,5,6-pentafluorobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4522-93-4 (retrieved 2024-11-23) (CAS RN: 4522-93-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    63 °C @ Press: 5 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H5F5O2/c1-2-16-9(15)3-4(10)6(12)8(14)7(13)5(3)11/h2H2,1H3

InChIKey

InChIKey=DFUDMSIRGGTHGI-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=C(F)C(F)=C(F)C(F)=C1F

Canonical SMILES

O=C(OCC)C=1C(F)=C(F)C(F)=C(F)C1F

Other Names for this Substance

  • Benzoic acid, 2,3,4,5,6-pentafluoro-, ethyl ester
  • Benzoic acid, pentafluoro-, ethyl ester
  • Ethyl 2,3,4,5,6-pentafluorobenzoate
  • Ethyl pentafluorobenzoate
  • (Ethoxycarbonyl)pentafluorobenzene

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