2-Bromoethanesulfonyl Chloride - CAS 54429-56-0

Catalog:	BB028654
Product Name:	2-Bromoethanesulfonyl Chloride
CAS:	54429-56-0
Synonyms:	2-bromoethanesulfonyl chloride; 2-bromoethanesulfonyl chloride

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Computed Properties

IUPAC Name:	2-bromoethanesulfonyl chloride
Description:	2-Bromoethanesulfonyl Chloride (CAS# 54429-56-0) is a useful research chemical.
Molecular Weight:	207.47
Molecular Formula:	C2H4BrClO2S
Canonical SMILES:	C(CBr)S(=O)(=O)Cl
InChI:	InChI=1S/C2H4BrClO2S/c3-1-2-7(4,5)6/h1-2H2
InChI Key:	FPJOBRDFPQKHLI-UHFFFAOYSA-N
Appearance:	Liquid
LogP:	2.03070

Publication Number	Title	Priority Date
WO-2019215341-A1	Furin inhibitors	20180511
AU-2019267166-A1	Furin inhibitors	20180511
CN-112384509-A	Furin inhibitors	20180511
EP-3790871-A1	Furin inhibitors	20180511
KR-20210021298-A	Purine inhibitor	20180511

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GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; 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]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.88039
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.88039
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1