4-Bromo-3-nitrobenzenesulfonyl Chloride - CAS 4750-22-5

Catalog:	BB026319
Product Name:	4-Bromo-3-nitrobenzenesulfonyl Chloride
CAS:	4750-22-5
Synonyms:	4-bromo-3-nitrobenzenesulfonyl chloride; 4-bromo-3-nitrobenzenesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-3-nitrobenzenesulfonyl chloride
Description:	4-Bromo-3-nitrobenzenesulfonyl Chloride (CAS# 4750-22-5) is a useful research chemical.
Molecular Weight:	300.51
Molecular Formula:	C6H3BrClNO4S
Canonical SMILES:	C1=CC(=C(C=C1S(=O)(=O)Cl)[N+](=O)[O-])Br
InChI:	InChI=1S/C6H3BrClNO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H
InChI Key:	OHJQQLFBGSDTEY-UHFFFAOYSA-N
LogP:	3.88880

Publication Number	Title	Priority Date
CN-111662275-A	Benzenesulfonamide IDH mutant inhibitor, preparation method and application thereof	20190308
CN-107922375-B	Anti-tumor compounds targeting the IDH2 mutation and methods of use thereof	20150730
US-2015299115-A1	Therapeutic compounds and compositions	20121015
WO-2014062511-A1	Therapeutic compounds and compositions	20121015
JP-4870570-B2	N-acylsulfonamide-based apoptosis promoter	20031113

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Related Functional Groups

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[71996-48-0]
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[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[1879-16-9]
4-Methoxythioanisole

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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:	322
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	298.86547
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	298.86547
Rotatable Bond Count:	1
Topological Polar Surface Area:	88.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5