Perfluorohexanesulfonic acid

C₆HF₁₃O₃SCAS 355-46-4400.11 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonic acid

Properties

Molecular formula: C₆HF₁₃O₃S
Molar mass: 400.11 g/mol
Exact mass: 399.9439 Da
Density: 1.841 g/mL
Boiling point: 238.5 °C
logP: 3.57Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

355-46-4

SMILES

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

InChIKey

QZHDEAJFRJCDMF-UHFFFAOYSA-N

InChI

InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)

Weigh it out

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

Names and synonyms

8 names

1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-
1-Hexanesulfonic acid, tridecafluoro-
1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonic acid
Tridecafluorohexanesulfonic acid
1-Perfluorohexanesulfonic acid
1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid
PFHxS
Tridecafluorohexan-1-sulfonic acid

Work with Perfluorohexanesulfonic 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 Boiling point under vacuumAt any pressure, from its normal boiling point 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 perfluorohexanesulfonate3871-99-6Salt

Similar compounds

Perfluorooctanesulfonic acid1763-23-1100 % similar Perfluoroheptanesulfonic acid375-92-8100 % similar Perfluorobutanesulfonic acid375-73-596 % similar Ammonium perfluorooctylsulfonate29081-56-988 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia