Perfluorobutanesulfonic acid

C4HF9O3SCAS 375-73-5300.09 g/mol

Open in Covalent MOL file
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Alkyl halideSulfonic acid

Properties

Molecular formula
C4HF9O3S
Molar mass
300.09 g/mol
Exact mass
299.9503 Da
Density
1.811 g/mL (at 25 °C)
Boiling point
211 °C
Water solubility
510 mg/L
logP
2.30Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
375-73-5
SMILES
O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
JGTNAGYHADQMCM-UHFFFAOYSA-N
InChI
InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)

Weigh it out

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

Names and synonyms

10 names
  • 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-
  • 1-Butanesulfonic acid, nonafluoro-
  • 1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid
  • Nonafluorobutanesulfonic acid
  • Nonafluoro-1-butanesulfonic acid
  • 1-Perfluorobutanesulfonic acid
  • Eftop FBSA
  • PFBS
  • n-Nonafluorobutanesulfonic acid
  • Nonafluorobutan-1-sulfonic acid

Work with Perfluorobutanesulfonic 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 perfluorobutanesulfonate29420-49-3Salt Triphenylsulfonium nonafluorobutanesulfonate144317-44-2Salt Lithium nonafluorobutanesulfonate131651-65-5Salt

Similar compounds

Perfluorooctanesulfonic acid1763-23-196 % similar Perfluorohexanesulfonic acid355-46-496 % similar Perfluoroheptanesulfonic acid375-92-896 % similar Ammonium perfluorooctylsulfonate29081-56-985 % similar Perfluorobutanesulfonyl fluoride375-72-454 % similar 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl chloride2991-84-652 % similar Perfluorooctanesulfonyl fluoride307-35-752 % similar Nonafluorobutanesulfonic acid anhydride36913-91-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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