3-Chlorobenzenesulfonyl chloride - CAS 2888-06-4

Catalog:	BB019996
Product Name:	3-Chlorobenzenesulfonyl chloride
CAS:	2888-06-4
Synonyms:	Benzenesulfonyl chloride, 3-chloro-; Benzenesulfonyl chloride, m-chloro-; 3-Chlorobenzene-1-sulfonyl chloride; 3-Chlorophenylsulfonyl chloride; m-Chlorobenzenesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	3-chlorobenzenesulfonyl chloride
Molecular Weight:	211.07
Molecular Formula:	C6H4Cl2O2S
Canonical SMILES:	C1=CC(=CC(=C1)Cl)S(=O)(=O)Cl
InChI:	InChI=1S/C6H4Cl2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H
InChI Key:	OINWZUJVEXUHCC-UHFFFAOYSA-N
Boiling Point:	142-145°C at 16 Torr
Melting Point:	21°C
Purity:	≥95%
Density:	1.529±0.06 g/cm3
Appearance:	Clear Yellow Liquid
Storage:	Store at 2-8°C under inert gas (nitrogen or Argon)
LogP:	3.34830

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Related Functional Groups

Sulfur Compounds

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[71996-48-0]
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[42729-26-0]
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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.9309059
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.9309059
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7