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4-Bromo-2,5-difluorobenzenesulfonyl chloride

4-Bromo-2,5-difluorobenzenesulfonyl chloride - CAS 207974-14-9

Catalog:	BB016303
Product Name:	4-Bromo-2,5-difluorobenzenesulfonyl chloride
CAS:	207974-14-9
Synonyms:	4-bromo-2,5-difluorobenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-2,5-difluorobenzenesulfonyl chloride
Description:	4-Bromo-2,5-difluorobenzenesulfonyl chloride (CAS# 207974-14-9) is a useful research chemical.
Molecular Weight:	291.50
Molecular Formula:	C6H2BrClF2O2S
Canonical SMILES:	C1=C(C(=CC(=C1S(=O)(=O)Cl)F)Br)F
InChI:	InChI=1S/C6H2BrClF2O2S/c7-3-1-5(10)6(2-4(3)9)13(8,11)12/h1-2H
InChI Key:	SBMKFWMFNIEPDN-UHFFFAOYSA-N
Boiling Point:	76 °C / 0.01 mmHg
Density:	1.934 g/cm³
Appearance:	Low melting solid
MDL:	MFCD00042181
LogP:	3.73560

Publication Number	Title	Priority Date
CN-110885319-A	Sulfonamide compounds as sodium channel blockers and uses thereof	20180910
CN-110885328-A	Sulfonamide compounds as sodium channel blockers and uses thereof	20180910
WO-2020052509-A1	Sulfonamide compound serving as sodium channel blocker and uses thereof	20180910
WO-2019131922-A1	Aryloxy compound	20171227
EP-3718545-A1	Antitumor agent	20171129

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Sulfur Compounds

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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:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	289.86155
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	289.86155
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8