Pentafluorobenzoic acid
CAS Registry Number®
602-94-8
CAS Name
Pentafluorobenzoic acidMolecular Formula
C7HF5O2Molecular Mass
212.07Cite this Page
Pentafluorobenzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=602-94-8 (retrieved ) (CAS RN: 602-94-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
220 °CMelting Point (1)
101 °CDensity (2)
1.94 g/cm³
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Benghiat, V.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), (1972), (12), 1778-85, CAplus
Other Names and Identifiers
InChI
InChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChIKey
InChIKey=YZERDTREOUSUHF-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F
Canonical SMILES
O=C(O)C=1C(F)=C(F)C(F)=C(F)C1F
Other Names for this Substance
- Benzoic acid, 2,3,4,5,6-pentafluoro-
- Benzoic acid, pentafluoro-
- 2,3,4,5,6-Pentafluorobenzoic acid
- Pentafluorobenzoic acid
- Perfluorobenzoic acid
