AG003W6Q

99876-69-4 | Benzenesulfonyl chloride, 2-chloro-5-methyl-

AG003W6Q

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CAS Number	99876-69-4
Catalog Number	AG003W6Q(AGN-PC-003Z2E)
Chemical Name	Benzenesulfonyl chloride, 2-chloro-5-methyl-
IUPAC Name	2-chloro-5-methylbenzenesulfonyl chloride
InChI	InChI=1S/C7H6Cl2O2S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,1H3
InChI Key	IJUVBGAZPUZWJR-UHFFFAOYSA-N
MDL Number	MFCD12922948
Molecular Formula	C7H6Cl2O2S
Molecular Weight	225.0923
SMILES	O=S(C1=CC(C)=CC=C1Cl)(Cl)=O
Synonyms	99876-69-4, 2-chloro-5-methylbenzene-1-sulfonyl chloride, Benzenesulfonyl chloride, 2-chloro-5-methyl-, 4-chloro-toluene-3-sulfonyl chloride, 2-Chloro-5-methylbenzenesulfonyl chloride, ACMC-20m304, SCHEMBL1501254, CTK3G7279, DTXSID70569250, IJUVBGAZPUZWJR-UHFFFAOYSA-N, ZINC59059426, AKOS006334547, NE15665, Z1962166892,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.947g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.083g/mol
Monoisotopic Mass	223.947g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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