1-Octanesulfonyl chloride

C8H17ClO2SCAS 7795-95-1212.73 g/mol

Open in Covalent MOL file
SOOCl

Properties

Molecular formula
C8H17ClO2S
Molar mass
212.73 g/mol
Exact mass
212.0638 Da
Boiling point
110–111 °C (at 4 Torr)
logP
2.92Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Hazards

Danger
Corrosive (GHS05)

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
7795-95-1
SMILES
CCCCCCCCS(=O)(=O)Cl
InChIKey
WIVNTNLDTMNDNO-UHFFFAOYSA-N
InChI
InChI=1S/C8H17ClO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • Octanesulfonyl chloride
  • n-Octanesulfonyl chloride
  • Octylsulfonyl chloride

Work with 1-Octanesulfonyl 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

1-Hexadecanesulfonyl chloride38775-38-1100 % similar Butanesulfonyl chloride2386-60-982 % similar Propanesulfonyl chloride10147-36-165 % similar 1-Octanesulfonic acid3944-72-756 % similar 3-Chloropropanesulfonyl chloride1633-82-550 % similar Sodium decanesulfonate13419-61-945 % similar Sodium hexadecylsulfonate15015-81-345 % similar Sodium heptanesulfonate22767-50-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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