1-Butanesulfonyl chloride - CAS 2386-60-9

Catalog:	BB018217
Product Name:	1-Butanesulfonyl chloride
CAS:	2386-60-9
Synonyms:	butane-1-sulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	butane-1-sulfonyl chloride
Description:	1-Butanesulfonyl chloride (CAS# 2386-60-9) is a useful research chemical.
Molecular Weight:	156.63
Molecular Formula:	C4H9ClO2S
Canonical SMILES:	CCCCS(=O)(=O)Cl
InChI:	InChI=1S/C4H9ClO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3
InChI Key:	WEDIIKBPDQQQJU-UHFFFAOYSA-N
Boiling Point:	96 °C (21 mmHg)
Density:	1.208 g/cm³
Appearance:	Clear colourless to light yellow liquid
MDL:	MFCD00007464
LogP:	2.43590
Vapor Pressure:	0.5 [mmHg]

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[52147-97-4]
trans-β-Styrenesulfonyl chloride

GHS Hazard Statement:	H302 (43.75%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P284, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P320, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.0011784
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.0011784
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6