3-bromobenzylsulfonyl chloride - CAS 58236-74-1

Catalog:	BB029982
Product Name:	3-bromobenzylsulfonyl chloride
CAS:	58236-74-1
Synonyms:	(3-bromophenyl)methanesulfonyl chloride; (3-bromophenyl)methanesulfonyl chloride

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Computed Properties

IUPAC Name:	(3-bromophenyl)methanesulfonyl chloride
Description:	3-bromobenzylsulfonyl chloride (CAS# 58236-74-1) is a useful research chemical.
Molecular Weight:	269.54
Molecular Formula:	C7H6BrClO2S
Canonical SMILES:	C1=CC(=CC(=C1)Br)CS(=O)(=O)Cl
InChI:	InChI=1S/C7H6BrClO2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2
InChI Key:	VCGKEAIINMDLMC-UHFFFAOYSA-N
Boiling Point:	350.5 °C at 760 mmHg
Density:	1.746 g/cm³
MDL:	MFCD06798043
LogP:	3.59850

Publication Number	Title	Priority Date
WO-2020181199-A1	COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING Î²-GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA	20190307
WO-2019034697-A1	NOVEL CARBOXAMIDE SULFONAMIDE COMPOUNDS	20170815
EP-3126329-A1	N-hydroxymethanesulfonamide nitroxyl donors	20140117
EP-3126329-B1	N-hydroxymethanesulfonamide nitroxyl donors	20140117
ES-2734060-T3	Nitroxyl donors of N-hydroxymethanesulfonamide	20140117

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Related Functional Groups

Sulfur Compounds

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[15863-41-9]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501
Signal Word:	Danger

Complexity:	234
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:	2
Topological Polar Surface Area:	42.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9