Bromomethanesulfonyl Chloride - CAS 10099-08-8

Catalog:	BB000412
Product Name:	Bromomethanesulfonyl Chloride
CAS:	10099-08-8
Synonyms:	bromomethanesulfonyl chloride; bromomethanesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	bromomethanesulfonyl chloride
Description:	Bromomethanesulfonyl Chloride (CAS# 10099-08-8) is a useful research chemical.
Molecular Weight:	193.45
Molecular Formula:	CH2BrClO2S
Canonical SMILES:	C(S(=O)(=O)Cl)Br
InChI:	InChI=1S/CH2BrClO2S/c2-1-6(3,4)5/h1H2
InChI Key:	FXHWCQPYCGWOAW-UHFFFAOYSA-N
LogP:	1.98820

Publication Number	Title	Priority Date
WO-2021083438-A1	Inhibitors of purine nucleoside phosphorylase - synthesis and use thereof for treatment of t-cell acute lymphoblastic leukemia and lymphoma	20191030
WO-2020023560-A1	Isoquinoline compounds and uses thereof	20180724
TW-202019905-A	Isoquinoline compounds and their uses	20180724
CN-112601584-A	Isoquinoline compounds and uses thereof	20180724
EP-3826722-A1	Isoquinoline compounds and uses thereof	20180724

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Related Functional Groups

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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:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.86474
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.86474
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2