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2,2-difluoro-2H-1,3-benzodioxole-4-sulfonyl chloride

2,2-difluoro-2H-1,3-benzodioxole-4-sulfonyl chloride - CAS 89819-42-1

Catalog:	BB039613
Product Name:	2,2-difluoro-2H-1,3-benzodioxole-4-sulfonyl chloride
CAS:	89819-42-1
Synonyms:	2,2-difluoro-1,3-benzodioxole-4-sulfonyl chloride; 2,2-difluoro-1,3-benzodioxole-4-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	2,2-difluoro-1,3-benzodioxole-4-sulfonyl chloride
Description:	2,2-difluoro-2H-1,3-benzodioxole-4-sulfonyl chloride (CAS# 89819-42-1) is a useful research chemical.
Molecular Weight:	256.604
Molecular Formula:	C7H3ClF2O4S
Canonical SMILES:	C1=CC2=C(C(=C1)S(=O)(=O)Cl)OC(O2)(F)F
InChI:	InChI=1S/C7H3ClF2O4S/c8-15(11,12)5-3-1-2-4-6(5)14-7(9,10)13-4/h1-3H
InChI Key:	RSCUQVIKWLIGNV-UHFFFAOYSA-N
LogP:	3.01640

Publication Number	Title	Priority Date
AU-2008320821-A1	Benzenesulfonanilide compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor	20071102
CA-2704529-A1	Benzenesulfonanilide compounds suitable for treating disorders that respond to modulation of the serotonin 5-ht6 receptor	20071102
EP-2217583-A1	Benzenesulfonanilide compounds suitable for treating disorders that respond to modulation of the serotonin 5-ht6 receptor	20071102
EP-2217583-B1	Benzenesulfonanilide compounds suitable for treating disorders that respond to modulation of the serotonin 5-ht6 receptor	20071102
JP-2011502973-A	Benzenesulfonanilide compounds suitable for the treatment of disorders responsive to modulation of serotonin 5-HT6 receptors	20071102

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	353
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.9408638
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	255.9408638
Rotatable Bond Count:	1
Topological Polar Surface Area:	61 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5