AG003LQO

616-83-1 | 4-Methyl-3-nitrobenzene-1-sulfonyl chloride

AG003LQO

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CAS Number	616-83-1
Catalog Number	AG003LQO(AGN-PC-0JSWIT)
Chemical Name	4-Methyl-3-nitrobenzene-1-sulfonyl chloride
IUPAC Name	4-methyl-3-nitrobenzenesulfonyl chloride
InChI	InChI=1S/C7H6ClNO4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3
InChI Key	OQFYBGANSUNUAO-UHFFFAOYSA-N
MDL Number	MFCD00129811
Molecular Formula	C7H6ClNO4S
Molecular Weight	235.6448
SMILES	O=S(C1=CC=C(C)C([N+]([O-])=O)=C1)(Cl)=O
Synonyms	616-83-1, 4-methyl-3-nitrobenzene-1-sulfonyl chloride, 4-Methyl-3-nitrobenzenesulfonyl chloride, 2-nitrotoluene-4-sulfonyl chloride, 4-Methyl-3-nitro-benzenesulfonyl chloride, OQFYBGANSUNUAO-UHFFFAOYSA-N, 3-Nitro-p-toluenesulfonyl Chloride, MFCD00129811, 4-Methyl-3-nitrobenzenesulfonylchloride, chloro(4-methyl-3-nitrophenyl)sulfone, 4-methyl-3-nitrobenzolsulfonylchlorid, PubChem5674, AC1LBMRK, AC1Q5AMM, ACMC-1AWD3, SCHEMBL274368, CTK2F2783, A1991/0083713, DTXSID00339988, ALBB-027016, ANW-33913, SBB017081, STK523518, ZINC59796812, AKOS000198513, AN-2735, CM-1018, MCULE-7740942152, RP05699, VZ29383, KS-000013O0, UPCMLD0ENAT5258604:001, 3-nitro-4-methyl phenylsulfonyl chloride, 3-nitro-4-methylbenzenesulfonyl chloride, 4-methyl-3-nitro benzenesulfonyl chloride, AC-22541, BP-10490, AB0041815, Benzenesulfonylchloride, 4-methyl-3-nitro-, DB-053965, ST2418472, ST4045616, TL8003927, TR-032876, Benzenesulfonyl chloride, 4-methyl-3-nitro-, FT-0619035, N0704, Y9628, 4-methyl-3-nitrobenzene-1-sulphonyl chloride, 4-Methyl-3-nitrobenzenesulfonyl chloride, 97%, Y-9885, A833362, J-515741, C7H6ClNO4S, AR-1G3467, CID560638, 6212-86-8,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.971g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.638g/mol
Monoisotopic Mass	234.971g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	88.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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