1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl chloride

C₄ClF₉O₂SCAS 2991-84-6318.54 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄ClF₉O₂S
Molar mass: 318.54 g/mol
Exact mass: 317.9164 Da
logP: 2.98Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

2991-84-6

SMILES

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

InChIKey

IRFCLLARAUQTNK-UHFFFAOYSA-N

InChI

InChI=1S/C4ClF9O2S/c5-17(15,16)4(13,14)2(8,9)1(6,7)3(10,11)12

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Names and synonyms

1 names

Nonafluoro-1-butanesulfonyl chloride

Work with 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl chloride

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

Perfluorobutanesulfonyl fluoride375-72-454 % similar Perfluorooctanesulfonyl fluoride307-35-752 % similar Nonafluorobutanesulfonic acid anhydride36913-91-452 % similar Perfluorobutanesulfonic acid375-73-552 % similar 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluoride423-50-752 % similar Lithium nonafluorobutanesulfonate131651-65-552 % similar Potassium perfluorobutanesulfonate29420-49-352 % similar Perfluorooctanesulfonic acid1763-23-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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