AG003HNM

121-02-8 | 2-Methyl-5-nitrobenzene-1-sulfonyl chloride

AG003HNM

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CAS Number	121-02-8
Catalog Number	AG003HNM(AGN-PC-0JK8K6)
Chemical Name	2-Methyl-5-nitrobenzene-1-sulfonyl chloride
EC Number	204-444-8
IUPAC Name	2-methyl-5-nitrobenzenesulfonyl chloride
InChI	InChI=1S/C7H6ClNO4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3
InChI Key	WPGVQDHXOUAJBW-UHFFFAOYSA-N
MDL Number	MFCD00051695
Molecular Formula	C7H6ClNO4S
Molecular Weight	235.6448
NSC Number	49752
SMILES	C1=C(C=CC(=C1[S](=O)(=O)Cl)C)[N+](=O)[O-]
Synonyms	121-02-8, 2-METHYL-5-NITROBENZENESULFONYL CHLORIDE, 2-Methyl-5-Nitrobenzene-1-Sulfonyl Chloride, 5-Nitro-o-toluenesulfonyl chloride, Benzenesulfonyl chloride, 2-methyl-5-nitro-, 2-Methyl-5-nitrobenzenesulfonylchloride, 4-Nitrotoluen-2-sulfochlorid, o-Toluenesulfonyl chloride, 5-nitro-, 4-Nitrotoluen-2-sulfonylchlorid, 4-Nitrotoluene-2-sulphonyl chloride, EINECS 204-444-8, NSC 49752, 4-Nitrotoluen-2-sulfochlorid [Czech], BRN 2697079, 4-Nitrotoluen-2-sulfonylchlorid [Czech], MFCD00051695, 2-methyl-5-nitrophenylsulfonyl chloride, 3-(Chlorosulphonyl)-4-methylnitrobenzene, 2-methyl-5-nitro-benzenesulfonyl chloride, 2-METHYL-5-NITROBENZENESULPHONYL CHLORIDE, chloro(2-methyl-5-nitrophenyl)sulfone, NSC49752, PubChem5598, ACMC-1BOOE, AC1Q2ECG, WLN: WSGR B1 ENW, AC1L1R1D, 4-11-00-00236 (Beilstein Handbook Reference), KSC176I9R, SCHEMBL1026210, 5-nitro-o-toluenesulfonylchlorid, CTK0H6498, DTXSID10153096, ATTERCOP-CHM AT109539, OTAVA-BB 1500054, WPGVQDHXOUAJBW-UHFFFAOYSA-N, 3-Nitro-6-methylbenzolsulfochlorid, 4-Nitrotoluene-2-sulfonyl chloride, ANW-17555, NSC-49752, SBB063844, STL483081, ZINC59796644, AKOS001018259, AS03499, CS-W012885, MCULE-8125910116, RP05698, RTR-003454, TRA0042229, 2-Methyl-5-nitro phenylsulfonyl chloride, 5-nitro-2-methyl-phenylsulfonyl chloride, 2-methyl-5-nitrobenzene sulfonyl chloride, AN-43373, BR-32991, SC-00585, ST013922, U289, 2-methyl-5-nitro-benzenesulphonyl chloride, 2-methyl-5-nitrobenzene sulphonyl chloride, UPCMLD0ENAT0502-0329:001, AB0019186, Benzenesulfonylchloride, 2-methyl-5-nitro-, DB-021360, LS-154194, ST2417077, TR-003454, AM20020295, FT-0612980, M2178, ST51039951, 2-Methyl-5-nitrobenzenesulfonyl chloride, 97%, A24456, B-6635, Benzenesulfonyl chloride, 2-methyl-5-nitro- (9CI), I01-3075, W-108464, F2190-0571, 4-nitrotoluen-2-sulfochlorid;4-nitrotoluen-2-sulfonylchlorid;5-nitro-o-toluenesulfonylchlorid, C7H6ClNO4S, C7-H6-Cl-N-O4-S, CID8457,

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	2.1

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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