Butanesulfonyl chloride

C₄H₉ClO₂SCAS 2386-60-9156.62 g/mol

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Properties

Molecular formula: C₄H₉ClO₂S
Molar mass: 156.62 g/mol
Exact mass: 156.0012 Da
Density: 1.2404 g/mL (at 0 °C)
Melting point: −29 °C
Boiling point: 90 °C
logP: 1.36Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed43.2% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H330 Fatal if inhaled43.2% of notifiers
H335 May cause respiratory irritation49.4% of notifiers

Aggregated from 81 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P320, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number

2386-60-9

SMILES

CCCCS(=O)(=O)Cl

InChIKey

WEDIIKBPDQQQJU-UHFFFAOYSA-N

InChI

InChI=1S/C4H9ClO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3

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

Names and synonyms

6 names

1-Butanesulfonyl chloride
Butylsulfonyl chloride
1-Butylsulfonyl chloride
n-Butanesulfonyl chloride
n-Butylsulfonyl chloride
NSC 8027

Work with Butanesulfonyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Hexadecanesulfonyl chloride38775-38-182 % similar 1-Octanesulfonyl chloride7795-95-182 % similar Propanesulfonyl chloride10147-36-171 % similar 3-Chloropropanesulfonyl chloride1633-82-554 % similar 1,1′-Sulfonylbis[butane]598-04-952 % similar Butanesulfonic acid2386-47-252 % similar Ethanesulfonyl chloride594-44-548 % similar 2-Chloroethanesulfonyl chloride1622-32-846 % similar

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

Same formula

Isobutanesulfonyl chloride35432-36-1 1-Chloro-3-methanesulfonyl-propane54533-11-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook