AG003HS1

837-95-6 | 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride

AG003HS1

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CAS Number	837-95-6
Catalog Number	AG003HS1(AGN-PC-0KKX39)
Chemical Name	2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride
IUPAC Name	2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride
InChI	InChI=1S/C7H3ClF3NO4S/c8-17(15,16)6-2-1-4(7(9,10)11)3-5(6)12(13)14/h1-3H
InChI Key	KXEMVGQZZLRLBE-UHFFFAOYSA-N
MDL Number	MFCD00013456
Molecular Formula	C7H3ClF3NO4S
Molecular Weight	289.6162
SMILES	O=S(C1=CC=C(C(F)(F)F)C=C1[N+]([O-])=O)(Cl)=O
Synonyms	837-95-6, 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride, 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride, 2-nitro-4-(trifluoromethyl)benzenesulfonylchloride, MFCD00013456, 2-nitro-4-(trifluoromethyl)benzenesulphonyl chloride, PubChem5675, AC1MCQH3, AC1Q1X9W, SCHEMBL2004631, CTK3E7822, DTXSID90379691, KXEMVGQZZLRLBE-UHFFFAOYSA-N, ZINC59796792, AKOS000145354, PS-10814, DB-056743, ST2404517, TR-026013, FT-0613160, X8387, 2-nitro-4-trifluromethylbenzenesulfonylchloride, 2-nitro-4-trifluoromethylbenzenesulfonyl chloride, 2-Nitro-4-(trifluoromethyl)phenylsulfonyl chloride, A821385, 2-nitro-4(trifluoromethyl)benzene sulfonyl chloride, 2-nitro-4-(trifluoromethyl) benzenesulfonyl chloride, 2-nitro-4-trifluoromethyl-benzene sulfonyl chloride, Benzenesulfonylchloride, 2-nitro-4-(trifluoromethyl)-, I01-12523, 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride, 98%, C7H3ClF3NO4S, CID2775780, 2-NITRO-4- BENZENESULFONYLCHLORIDE, 2-nitro-4-(trifluoromethyl)benzene-sulfonyl chlor, 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride, 98% - 1G 1g, 327-19-5,

Complexity	399
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	288.942g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	289.609g/mol
Monoisotopic Mass	288.942g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	88.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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