Perfluorooctanesulfonic acid

C₈HF₁₇O₃SCAS 1763-23-1500.13 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonic acid

Properties

Molecular formula: C₈HF₁₇O₃S
Molar mass: 500.13 g/mol
Exact mass: 499.9375 Da
Boiling point: 133 °C (at 6 Torr)
Flash point: 11 °C (closed cup)
logP: 4.84Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 7

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H332 Harmful if inhaledAcute toxicity, inhalation
H351 Suspected of causing cancerCarcinogenicity
H360D *** May damage the unborn childReproductive toxicity
H362 May cause harm to breast-fed childrenReproductive toxicity, effects on or via lactation
H372 ** Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 607-624-00-8[1]), via PubChem.

Precautionary statements

P203, P260, P261, P263, P264, P270, P271, P273, P280, P301+P317, P304+P340, P317, P318, P319, P330, P391, P405, P501

Identifiers

CAS number

1763-23-1

SMILES

O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChIKey

YFSUTJLHUFNCNZ-UHFFFAOYSA-N

InChI

InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-
1-Octanesulfonic acid, heptadecafluoro-
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid
Perfluorooctylsulfonic acid
Perfluoro-n-octanesulfonic acid
Heptadecafluoro-1-octanesulfonic acid
1-Perfluorooctanesulfonic acid
Eftop EF 101
EF 101
Heptadecafluorooctanesulfonic acid
PFOS

Work with Perfluorooctanesulfonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Potassium perfluorooctanesulfonate2795-39-3Salt Tetraethylammonium perfluorooctanesulfonate56773-42-3Salt Ammonium perfluorooctylsulfonate29081-56-9Salt

Similar compounds

Perfluorohexanesulfonic acid355-46-4100 % similar Perfluoroheptanesulfonic acid375-92-8100 % similar Perfluorobutanesulfonic acid375-73-596 % similar Perfluorooctanesulfonyl fluoride307-35-755 % similar 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluoride423-50-755 % similar Perfluorooctanesulfonamide754-91-653 % similar Perfluorobutanesulfonyl fluoride375-72-452 % similar Perfluoro(2-ethoxyethane)sulfonic acid113507-82-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia