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2-Bromo-4-methylbenzenesulfonyl Chloride

2-Bromo-4-methylbenzenesulfonyl Chloride - CAS 89794-06-9

Catalog:	BB039601
Product Name:	2-Bromo-4-methylbenzenesulfonyl Chloride
CAS:	89794-06-9
Synonyms:	2-bromo-4-methylbenzenesulfonyl chloride; 2-bromo-4-methylbenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4-methylbenzenesulfonyl chloride
Description:	2-Bromo-4-methylbenzenesulfonyl Chloride (CAS# 89794-06-9) is a useful research chemical.
Molecular Weight:	269.54
Molecular Formula:	C7H6BrClO2S
Canonical SMILES:	CC1=CC(=C(C=C1)S(=O)(=O)Cl)Br
InChI:	InChI=1S/C7H6BrClO2S/c1-5-2-3-7(6(8)4-5)12(9,10)11/h2-4H,1H3
InChI Key:	NQXSKUPCOJGZQA-UHFFFAOYSA-N
LogP:	3.76580

Publication Number	Title	Priority Date
WO-2020109350-A1	3-(phenylsulfonyl)-[1,2,3]triazolo[1,5a]quinazolin-5(4h)-one derivatives	20181128
CN-113166070-A	Pesticidal compounds	20181024
CN-111491925-A	Pesticidal compounds	20171221
CN-106458966-B	Pyrazines derivatives as inhibitors of phosphatidylinositol3 3-kinase	20140424
CN-106458980-A	Amino pyridine derivatives as phosphatidylinositol 3-kinase inhibitors	20140424

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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:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	267.89604
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	267.89604
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3