2-Chlorobenzylsulfonyl chloride - CAS 77421-13-7

Catalog:	BB035931
Product Name:	2-Chlorobenzylsulfonyl chloride
CAS:	77421-13-7
Synonyms:	(2-chlorophenyl)methanesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	(2-chlorophenyl)methanesulfonyl chloride
Description:	2-Chlorobenzylsulfonyl chloride (CAS# 77421-13-7) is a useful research chemical.
Molecular Weight:	225.09
Molecular Formula:	C7H6Cl2O2S
Canonical SMILES:	C1=CC=C(C(=C1)CS(=O)(=O)Cl)Cl
InChI:	InChI=1S/C7H6Cl2O2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2
InChI Key:	CHPZYFXSICSCNY-UHFFFAOYSA-N
Boiling Point:	321.2 °C at 760 mmHg
Density:	1.499 g/cm³
MDL:	MFCD04116369
LogP:	3.48940

Publication Number	Title	Priority Date
WO-2021208918-A1	Tricyclic compounds as egfr inhibitors	20200414
WO-2021158516-A1	IRE1Î± MODULATORS AND USES THEREOF	20200203
US-10292972-B1	Pharmaceutical composition for treating cancer and a method thereof	20171026
US-2019125732-A1	Pharmaceutical composition for treating cancer and a method thereof	20171026
AU-2018326721-A1	Compounds and compositions for IRE1 inhibition	20170901

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Related Functional Groups

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GHS Hazard Statement:	H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.9465560
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.9465560
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5