AG003I8X

5335-40-0 | 3-(Methylsulfonyl)benzenesulfonyl Chloride

AG003I8X

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CAS Number	5335-40-0
Catalog Number	AG003I8X(AGN-PC-0JNA4W)
Chemical Name	3-(Methylsulfonyl)benzenesulfonyl Chloride
IUPAC Name	3-methylsulfonylbenzenesulfonyl chloride
InChI	InChI=1S/C7H7ClO4S2/c1-13(9,10)6-3-2-4-7(5-6)14(8,11)12/h2-5H,1H3
InChI Key	CQEFJGDLGWJIRV-UHFFFAOYSA-N
MDL Number	MFCD04037968
Molecular Formula	C7H7ClO4S2
Molecular Weight	254.7111
NSC Number	2940
SMILES	O=S(C1=CC=CC(S(=O)(C)=O)=C1)(Cl)=O
Synonyms	3-(METHYLSULFONYL)BENZENESULFONYL CHLORIDE, 5335-40-0, 3-methylsulfonylbenzenesulfonyl chloride, 3-(methylsulphonyl)benzenesulphonyl chloride, 3-(methylsulfonyl)benzenesulfonylchloride, 3-methanesulfonylbenzene-1-sulfonyl chloride, Benzenesulfonyl chloride, 3-(methylsulfonyl)-, 2-Benzoxazoleethanol, a-[3-(trifluoromethyl)phenyl]-, NSC2940, PubChem5610, AC1Q4GGZ, 3-(methylsulfonyl)benzene-1-sulfonyl chloride, AC1L58MV, AC1Q6YM4, SCHEMBL364561, 3-Mesylbenzenesulfonyl chloride, CTK4J2316, KS-00000ERX, DTXSID20277575, CQEFJGDLGWJIRV-UHFFFAOYSA-N, NSC-2940, MFCD04037968, SBB101492, ZINC95696967, 3-methylsulfonylphenylsulfonyl chloride, AKOS000165102, CS-W003992, MCULE-5692535819, RTR-017965, TRA0021510, chloro[3-(methylsulfonyl)phenyl]sulfone, 3-(Methylsulfonyl)phenylsulfonyl chloride, 3-methylsulfonyl-benzenesulfonyl chloride, 3-(Chlorosulphonyl)phenyl methyl sulphone, 3-Methanesulfonyl-benzenesulfonyl chloride, AK208862, PS-10870, SY022627, AB0060059, TR-017965, V6453, EN300-29808, K-9677, MFCD04037968 (97+%), A829533, 3-(Methylsulfonyl)benzenesulfonyl chloride, AldrichCPR, I01-13464, C7H7ClO4S2, AR-1E7814, CID220330, 502625-49-2, 2-benzoxazol-2-yl-1-(3-trifluoromethylphenyl)ethanol, 58494-42-1,

Complexity	386
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.947g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.699g/mol
Monoisotopic Mass	253.947g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	85A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number