AG002VC4

2905-29-5 | Benzenesulfonyl chloride, 2,6-dimethyl-

AG002VC4

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CAS Number	2905-29-5
Catalog Number	AG002VC4(AGN-PC-0KKMKS)
Chemical Name	Benzenesulfonyl chloride, 2,6-dimethyl-
IUPAC Name	2,6-dimethylbenzenesulfonyl chloride
InChI	InChI=1S/C8H9ClO2S/c1-6-4-3-5-7(2)8(6)12(9,10)11/h3-5H,1-2H3
InChI Key	FKRXAOXJRNLGQK-UHFFFAOYSA-N
MDL Number	MFCD03789123
Molecular Formula	C8H9ClO2S
Molecular Weight	204.6739
SMILES	O=S(C1=C(C)C=CC=C1C)(Cl)=O
Synonyms	2905-29-5, 2,6-DIMETHYLBENZENE-1-SULFONYL CHLORIDE, 2,6-dimethylbenzenesulfonyl Chloride, 2,6-dimethyl-benzene-sulfonyl chloride, Benzenesulfonyl chloride, 2,6-dimethyl-, AC1MBYDB, SCHEMBL1500713, CTK4G2648, DTXSID40374373, (2,6-dimethylphenyl)chlorosulfone, 2,6-XYLENESULFONYL CHLORIDE, MFCD03789123, RW3795, SBB093385, ZINC72399746, AKOS015890969, DS-6556, QC-3241, 2,6-Dimethylbenzenesulfonic acid chloride, AK122088, AM100630, AB0095460, TX-016215, FT-0667321, Z2465, 2,6-DIMETHYL BENZENE SULFONYL CHLORIDE, I01-8538, C8H9ClO2S, 2,6-Dimethyl-benzenesulfonyl chloride, 2,6-Dimethylbenzene-1-sulfonylchloride, CID2758529, 2,6-DIMETHYLBENZENESULFONYLCHLORIDE,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.001g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.668g/mol
Monoisotopic Mass	204.001g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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 3261

Certificate of Analysis

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