AG0072HV

42413-03-6 | 3-Chloro-4-methylbenzene-1-sulfonyl chloride

AG0072HV

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CAS Number	42413-03-6
Catalog Number	AG0072HV(AGN-PC-0WAFQ5)
Chemical Name	3-Chloro-4-methylbenzene-1-sulfonyl chloride
EC Number	412-890-1
IUPAC Name	3-chloro-4-methylbenzenesulfonyl chloride
InChI	InChI=1S/C7H6Cl2O2S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3
InChI Key	GNYVVCRRZRVBDD-UHFFFAOYSA-N
MDL Number	MFCD27958334
Molecular Formula	C7H6Cl2O2S
Molecular Weight	225.0923
NSC Number	90118
SMILES	O=S(C1=CC=C(C)C(Cl)=C1)(Cl)=O
Synonyms	42413-03-6, 3-Chloro-4-methylbenzenesulfonyl chloride, 3-CHLORO-4-METHYLBENZENE-1-SULFONYL CHLORIDE, 3-chloro-4-methylbenzenesulphonyl chloride, MFCD00203987, NSC90118, PubChem5098, ACMC-209jpd, AC1L61QM, AC1Q2F4L, AC1Q2F4M, AC1Q3M5E, NCIOpen2_006167, SCHEMBL242381, CTK1D8673, KS-00002BIN, GNYVVCRRZRVBDD-UHFFFAOYSA-N, 2-chloro-p-toluenesulfonyl chloride, 3-Chloro-p-toluenesulfonyl chloride, ALBB-001013, STR02681, ANW-29807, BBL037537, NSC-90118, SBB046749, STK502404, ZINC59796773, AKOS000150854, AM62603, chloro(3-chloro-4-methylphenyl)sulfone, MCULE-1400900617, VZ26647, 3-Chloro-4-methylbenzenesulphonylchloride, 3-chloro-4-methylbenzensulfonyl chloride, 3-Chloro-4-methylphenylsulfonyl chloride, BP-10509, SC-75088, 2-chloro-toluene-4-sulfonic acid chloride, 3-chloro-4-methyl-benzenesulfonyl chloride, AB0034178, DB-050910, ST2417635, TR-036775, 4CH-014183, Benzenesulfonylchloride, 3-chloro-4-methyl-, FT-0615416, X8290, 3-chloranyl-4-methyl-benzenesulfonyl chloride, EN300-39543, X-3987, 3-Chloro-4-methylbenzenesulfonyl chloride, 97%, A825891, I09-0696, J-200055, F9995-2521, Z1741961204, C7H6Cl2O2S, 2-chloro-p-toluenesulfochloride, AR-1F2616, CID259744, 3-CHLORO-4-METHYLBENZENESULFONYLCHLORIDE, EC 412-890-1, 3-Chloro-4-methylbenzenesulfonyl chloride, 97% - 1G 1g, 54185-81-8,

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	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H317-H412
Packing Group	Ⅱ
Precautionary statements	P273-P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

Lot Number