AG002RSM

2613-27-6 | Sulfur, pentafluoro(4-nitrophenyl)-, (OC-6-21)-

AG002RSM

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CAS Number	2613-27-6
Catalog Number	AG002RSM(AGN-PC-0R21AG)
Chemical Name	Sulfur, pentafluoro(4-nitrophenyl)-, (OC-6-21)-
EC Number	447-610-7
IUPAC Name	pentafluoro-(4-nitrophenyl)-λ6-sulfane
InChI	InChI=1S/C6H4F5NO2S/c7-15(8,9,10,11)6-3-1-5(2-4-6)12(13)14/h1-4H
InChI Key	AGNCKMHGYZKMLN-UHFFFAOYSA-N
MDL Number	MFCD00221619
Molecular Formula	C6H4F5NO2S
Molecular Weight	249.1585
SMILES	O=[N+](C1=CC=C(S(F)(F)(F)(F)F)C=C1)[O-]
Synonyms	4-Nitrophenylsulfur Pentafluoride, 2613-27-6, 4-nitrophenylsulphur pentafluoride, 4-(pentafluorosulfur)-nitrobenzene, 1-nitro-4-(pentafluorosulfanyl)benzene, AC1MCQFZ, ACMC-209gok, pentafluoro-(4-nitrophenyl)-, SCHEMBL816323, 4-(Pentafluorothio)nitrobenzene, 4-Nitrophenylsulfurpentafluoride, CTK3J7501, DTXSID90379676, AGNCKMHGYZKMLN-UHFFFAOYSA-N, 4-Nitrophenylpentafluorosulfur(VI), p-nitro(pentafluorosulfanyl)benzene, ZX-AP005018, ANW-25890, BBL102770, MFCD00221619, PC8766, SBB055099, STL556576, ZINC95681974, AKOS005255114, MCULE-5767160710, RTR-011822, VZ29625, 1-nitro-4-(pentafluoro-sulfanyl)benzene, PS-10481, SC-13906, DB-046841, TR-011822, FT-0619291, N0743, pentafluoro-(4-nitrophenyl)-$l^{6}-sulfane, ST51041583, X7345, K-6769, 1-nitro-4-(pentafluoro-$l^{6}-sulfanyl)benzene, A818198, C-15288, Sulfur,pentafluoro(4-nitrophenyl)-, (OC-6-21)-, 1-nitro-4-(pentafluoro-lambda~6~-sulfanyl)benzene, J-016271, pentakis(fluoranyl)-(4-nitrophenyl)-$l^{6}-sulfane, I14-25681, InChI=1/C6H4F5NO2S/c7-15(8,9,10,11)6-3-1-5(2-4-6)12(13)14/h1-4, C6H4F5NO2S, CID2775740, CID 2775740,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.988g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.155g/mol
Monoisotopic Mass	248.988g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331-H315-H319
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
UN Code	UN 2811

Certificate of Analysis

Lot Number