AG0033WS

2993-24-0 | 4-AminophenylsulfurPentafluoride

AG0033WS

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CAS Number	2993-24-0
Catalog Number	AG0033WS(AGN-PC-0R5CKD)
Chemical Name	4-AminophenylsulfurPentafluoride
IUPAC Name	4-(pentafluoro-λ6-sulfanyl)aniline
InChI	InChI=1S/C6H6F5NS/c7-13(8,9,10,11)6-3-1-5(12)2-4-6/h1-4H,12H2
InChI Key	MZGZUHNSMNNSRJ-UHFFFAOYSA-N
MDL Number	MFCD01076203
Molecular Formula	C6H6F5NS
Molecular Weight	219.1756
SMILES	NC1=CC=C(C=C1)S(F)(F)(F)(F)F
Synonyms	2993-24-0, 4-Aminophenylsulfur Pentafluoride, 4-(Pentafluorothio)aniline, 4-Aminophenylsulphur pentafluoride, 1-Amino-4-(Pentafluoro Sulfanyl) Benzene, 4-(Pentafluorosulfanyl)aniline, MFCD01076203, 4-(pentafluoro-lambda6-sulfanyl)aniline, 4-(pentafluoro-lambda~6~-sulfanyl)aniline, ACMC-1CJZR, AC1MCUZ5, 4-pentafluorosulfanylaniline, C6H6F5NS, 1-AMINO-4-(PENTAFLUORO-SULFANYL)BENZENE, 4-(Pentafluorosulfur)aniline, SCHEMBL240645, 4-aminophenylsulfurpentafluoride, 4-(Pentafluorosulphanyl)aniline, 4-aminopentafluorosulfanylbenzene, 4-[Pentafluorothio(VI)]aniline, 4-pentafluorosulfanyl-phenylamine, CTK3J4577, DTXSID90381310, MZGZUHNSMNNSRJ-UHFFFAOYSA-N, ANW-26737, BBL101550, SBB095749, STL555346, ZINC95676549, 4-(pentafluoro-lambda-sulfanyl)aniline, AKOS005254366, GS-5429, KS-0000102H, 4-(pentafluoro-$l^{6}-sulfanyl)aniline, 4-(PENTAFLUORO-??-SULFANYL)ANILINE, RT-002088, X7344, K-7223, F0001-0923, I14-101086, Sulfur,(4-aminophenyl)pentafluoro-, (OC-6-21)- (9CI), 4-(pentafluoro-, ACN-056346, CID2779190, CID 2779190, A2043, 4-Aminophenylsulfur pentafluoride, 97% - 1G 1g,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.014g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.173g/mol
Monoisotopic Mass	219.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	27A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2811

Certificate of Analysis

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