4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid

CAS Registry Number®

383-13-1
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CAS Name

4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid

Molecular Formula

C9H5F5O2

Molecular Mass

240.13

Cite this Page

4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=383-13-1 (retrieved 2024-08-18) (CAS RN: 383-13-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    242-243 °C @ Press: 748 Torr

  • Melting Point (1)

    155-156 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H5F5O2/c10-8(11,9(12,13)14)6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16)

InChIKey

InChIKey=WJKRCWXOKSNIAD-UHFFFAOYSA-N

SMILES

C(C(F)(F)F)(F)(F)C1=CC=C(C(O)=O)C=C1

Canonical SMILES

O=C(O)C1=CC=C(C=C1)C(F)(F)C(F)(F)F

Other Names for this Substance

  • Benzoic acid, 4-(1,1,2,2,2-pentafluoroethyl)-
  • Benzoic acid, p-(pentafluoroethyl)-
  • Benzoic acid, 4-(pentafluoroethyl)-
  • 4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid
  • 4-(Pentafluoroethyl)benzoic acid