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4-Bromo-3-fluorobenzenesulfonyl chloride

4-Bromo-3-fluorobenzenesulfonyl chloride - CAS 351003-51-5

Catalog:	BB022457
Product Name:	4-Bromo-3-fluorobenzenesulfonyl chloride
CAS:	351003-51-5
Synonyms:	4-bromo-3-fluorobenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-3-fluorobenzenesulfonyl chloride
Description:	4-Bromo-3-fluorobenzenesulfonyl chloride (CAS# 351003-51-5) is a useful research chemical.
Molecular Weight:	273.51
Molecular Formula:	C6H3BrClFO2S
Canonical SMILES:	C1=CC(=C(C=C1S(=O)(=O)Cl)F)Br
InChI:	InChI=1S/C6H3BrClFO2S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3H
InChI Key:	IZCXVIACMHTZNA-UHFFFAOYSA-N
Boiling Point:	217-218 °C
Purity:	97 %
Density:	1.850 g/cm³
Appearance:	Colorless to yellow clear liquid
MDL:	MFCD03094150
LogP:	3.59650

Publication Number	Title	Priority Date
WO-2020212581-A1	N-acyl-{4-[(4-aryl-phenyl)sulfonylmethyl]piperidine} compounds and their therapeutic use	20190418
WO-2020035560-A1	1-methyl-4-[(4-phenylphenyl)sulfonylmethyl]cyclohexyanol and 1-methyl-4-[[4-(2-pyridyl)phenyl]sulfonylmethyl]cyclohexanol compounds and their therapeutic use	20180815
CN-112805270-A	1-methyl-4- [ (4-phenylphenyl) sulfonylmethyl ] cyclohexanol and 1-methyl-4- [ [4- (2-pyridinyl) phenyl ] sulfonylmethyl ] cyclohexanol compounds and therapeutic uses thereof	20180815
EP-3837244-A1	1-methyl-4-[(4-phenylphenyl)sulfonylmethyl]cyclohexyanol and 1-methyl-4-[[4-(2-pyridyl)phenyl]sulfonylmethyl]cyclohexanol compounds and their therapeutic use	20180815
KR-20210044802-A	1-methyl-4-[(4-phenylphenyl)sulfonylmethyl]cyclohexyanol and 1-methyl-4-[[4-(2-pyridyl)phenyl]sulfonylmethyl]cyclohexanol compound and its Therapeutic use	20180815

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Sulfur Compounds

[123-43-3]
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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:	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