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5-Bromo-2-fluoro-1-benzenesulfonyl Chloride

5-Bromo-2-fluoro-1-benzenesulfonyl Chloride - CAS 339370-40-0

Catalog:	BB021902
Product Name:	5-Bromo-2-fluoro-1-benzenesulfonyl Chloride
CAS:	339370-40-0
Synonyms:	5-bromo-2-fluorobenzenesulfonyl chloride; 5-bromo-2-fluorobenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-2-fluorobenzenesulfonyl chloride
Description:	5-Bromo-2-fluoro-1-benzenesulfonyl Chloride (CAS# 339370-40-0) is a useful research chemical.
Molecular Weight:	273.51
Molecular Formula:	C6H3BrClFO2S
Canonical SMILES:	C1=CC(=C(C=C1Br)S(=O)(=O)Cl)F
InChI:	InChI=1S/C6H3BrClFO2S/c7-4-1-2-5(9)6(3-4)12(8,10)11/h1-3H
InChI Key:	LLDLTDWAHZBZIQ-UHFFFAOYSA-N
MDL:	MFCD09763690
LogP:	3.59650

Publication Number	Title	Priority Date
WO-2021154966-A1	Compounds and compositions for use in treating skin disorders	20200129
CN-112409223-A	Amide compounds and medical application thereof as STING inhibitor	20191012
WO-2021068950-A1	Amide compound and medical use thereof as sting inhibitor	20191012
WO-2021021951-A1	Wdr5-myc inhibitors	20190729
EP-3555088-A1	Bisaryl amides as nrf2 regulators	20161214

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[6633-90-5]
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[85-47-2]
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[162894-76-0]
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[1005626-64-1]
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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, 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