AG002Q1Z

24974-75-2 | Benzenemethanesulfonyl chloride, 2-nitro-

AG002Q1Z

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CAS Number	24974-75-2
Catalog Number	AG002Q1Z(AGN-PC-0R0NIO)
Chemical Name	Benzenemethanesulfonyl chloride, 2-nitro-
IUPAC Name	(2-nitrophenyl)methanesulfonyl chloride
InChI	InChI=1S/C7H6ClNO4S/c8-14(12,13)5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
InChI Key	FUEFNUGYRWQHTH-UHFFFAOYSA-N
MDL Number	MFCD00082526
Molecular Formula	C7H6ClNO4S
Molecular Weight	235.6448
SMILES	O=S(CC1=CC=CC=C1[N+]([O-])=O)(Cl)=O
Synonyms	(2-nitrophenyl)methanesulfonyl Chloride, 24974-75-2, 2-Nitro-alpha-toluenesulfonyl chloride, AC1N7NWF, AC1Q1WYX, 2-NITRO-ALPHA-TOLUENESULFONYLCHLORIDE, SCHEMBL270126, CTK8D3917, 2-nitro--toluenesulfonyl chloride, DTXSID20401757, FUEFNUGYRWQHTH-UHFFFAOYSA-N, 2-nitro-a-toluenesulfonyl chloride, 2-Nitro-|A-toluenesulfonyl chloride, 2-nitrophenylmethanesulfonyl chloride, (2-nitrophenyl)methansulfonyl chloride, AKOS009157104, AKOS015913578, ZINC100117726, 2-nitro-alpha-toluenesulphonyl chloride, AB03093, NE11199, RP28185, (2-?Nitrophenyl)?methanesulfonyl chloride, Benzenemethanesulfonyl chloride, 2-nitro-, TC-070111, 2-Nitro-alpha-toluenesulfonyl chloride, 98%, FT-0762325, J-015759, I14-45510, CID4305447,

Complexity	305
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	2
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	Ⅱ
Precautionary statements	P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310
UN Code	UN 3261

Certificate of Analysis

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