Perfluorooctanesulfonyl fluoride

C₈F₁₈O₂SCAS 307-35-7502.12 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₈F₁₈O₂S
Molar mass: 502.12 g/mol
Exact mass: 501.9332 Da
Density: 1.824 g/mL (at 25 °C)
Boiling point: 154.5 °C (at 744 Torr)
logP: 5.25Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 7

Hazards

Danger

H301 Toxic if swallowed47.4% of notifiers
H314 Causes severe skin burns and eye damage51.3% of notifiers
H318 Causes serious eye damage96.2% of notifiers
H331 Toxic if inhaled47.4% of notifiers
H360 May damage fertility or the unborn child47.4% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure48.7% of notifiers
H411 Toxic to aquatic life with long lasting effects48.7% of notifiers

Aggregated from 78 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

307-35-7

SMILES

O=S(=O)(F)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

BHFJBHMTEDLICO-UHFFFAOYSA-N

InChI

InChI=1S/C8F18O2S/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

Weigh it out

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

Names and synonyms

9 names

1-Octanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-
1-Octanesulfonyl fluoride, heptadecafluoro-
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonyl fluoride
Perfluorooctylsulfonyl fluoride
n-Perfluorooctanesulfonyl fluoride
Perfluoro-1-octanesulfonyl fluoride
FX 8
Fluorad FX 8
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-octanesulfonyl fluoride

Work with Perfluorooctanesulfonyl fluoride

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

Similar compounds

1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluoride423-50-7100 % similar Perfluorobutanesulfonyl fluoride375-72-495 % similar Perfluorooctanesulfonic acid1763-23-155 % similar Perfluorohexanesulfonic acid355-46-455 % similar Perfluoroheptanesulfonic acid375-92-855 % similar Perfluorooctanesulfonamide754-91-655 % similar 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl chloride2991-84-652 % similar Nonafluorobutanesulfonic acid anhydride36913-91-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia