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2-Bromo-4-fluorobenzenesulfonyl chloride

2-Bromo-4-fluorobenzenesulfonyl chloride - CAS 351003-45-7

Catalog:	BB022452
Product Name:	2-Bromo-4-fluorobenzenesulfonyl chloride
CAS:	351003-45-7
Synonyms:	2-bromo-4-fluorobenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4-fluorobenzenesulfonyl chloride
Description:	2-Bromo-4-fluorobenzenesulfonyl chloride (CAS# 351003-45-7) is a useful research chemical.
Molecular Weight:	273.51
Molecular Formula:	C6H3BrClFO2S
Canonical SMILES:	C1=CC(=C(C=C1F)Br)S(=O)(=O)Cl
InChI:	InChI=1S/C6H3BrClFO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H
InChI Key:	GJPWPFVLPNTOOL-UHFFFAOYSA-N
Boiling Point:	264-265 °C (lit.)
Melting Point:	37-39 °C
Purity:	95 %
Density:	1.870 g/cm³
Appearance:	Liquid
MDL:	MFCD03094149
LogP:	3.59650

Publication Number	Title	Priority Date
CN-110041333-A	Bromine structural domain inhibitor compound and application thereof	20180116
CN-108069958-A	A kind of nitrogen-containing hetero cyclics, its preparation method, pharmaceutical composition and application	20161110
CN-110088102-A	A kind of nitrogen-containing hetero cyclics, preparation method, pharmaceutical composition and application	20161110
AU-2017330620-A1	TRPV4 antagonists	20160920
CA-3036933-A1	Trpv4 antagonists	20160920

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Sulfur Compounds

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GHS Hazard Statement:	H226 (95.45%): 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:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.87097
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	271.87097
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7