2-Chlorobenzenesulfonyl chloride - CAS 2905-23-9

Catalog:	BB020064
Product Name:	2-Chlorobenzenesulfonyl chloride
CAS:	2905-23-9
Synonyms:	2-chlorobenzenesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	2-chlorobenzenesulfonyl chloride
Description:	2-Chlorobenzenesulfonyl chloride (CAS# 2905-23-9) is a useful research chemical.
Molecular Weight:	211.07
Molecular Formula:	C6H4Cl2O2S
Canonical SMILES:	C1=CC=C(C(=C1)S(=O)(=O)Cl)Cl
InChI:	InChI=1S/C6H4Cl2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
InChI Key:	KMVZDSQHLDGKGV-UHFFFAOYSA-N
Boiling Point:	150-152 °C (12 mmHg)
Density:	1.548 g/cm³
Appearance:	Clear yellow to orange-red liquid
MDL:	MFCD00051520
LogP:	3.34830

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GHS Hazard Statement:	H226 (89.36%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, 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:	2.2