AG0069N9

959996-58-8 | 6-(Trifluoromethyl)pyridine-3-sulfonyl chloride

AG0069N9

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CAS Number	959996-58-8
Catalog Number	AG0069N9(AGN-PC-0WBT6G)
Chemical Name	6-(Trifluoromethyl)pyridine-3-sulfonyl chloride
IUPAC Name	6-(trifluoromethyl)pyridine-3-sulfonyl chloride
InChI	InChI=1S/C6H3ClF3NO2S/c7-14(12,13)4-1-2-5(11-3-4)6(8,9)10/h1-3H
InChI Key	NSGLNIQAWVNZFB-UHFFFAOYSA-N
MDL Number	MFCD10699112
Molecular Formula	C6H3ClF3NO2S
Molecular Weight	245.6067
SMILES	O=S(C1=CC=C(C(F)(F)F)N=C1)(Cl)=O
Synonyms	6-(Trifluoromethyl)pyridine-3-sulfonyl chloride, 959996-58-8, MFCD10699112, 6-TRIFLUOROMETHYL-3-PYRIDINESULFONYL CHLORIDE, SCHEMBL244098, CTK5H8516, DTXSID90670711, NSGLNIQAWVNZFB-UHFFFAOYSA-N, ACT10893, BBL101000, SBB062697, STL554794, ZINC72400668, AKOS005137891, AB62557, RP06004, AS-55101, QC-10214, SC-52880, DB-032108, TC-010324, 6-trifluoromethylpyridine-3-sulfonyl chloride, CS-0054211, FT-0675545, ST24045082, Y4858, 3-Pyridinesulfonylchloride,6-(trifluoromethyl)-, chloro[6-(trifluoromethyl)(3-pyridyl)]sulfone, Y-9809, I02-4696, J-518137, 6-(trifluoromethyl)pyridine-3-sulfonyl chloride, 97%, C6H3ClF3NO2S, 6-Trifluoromethyl-pyridine-3-sulfonyl chloride,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.953g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.6g/mol
Monoisotopic Mass	244.953g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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

Lot Number