AG00VRP9

2993-22-8 | 3-(Pentafluorosulfur)aniline

AG00VRP9

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CAS Number	2993-22-8
Catalog Number	AG00VRP9(AGN-PC-0KKZE1)
Chemical Name	3-(Pentafluorosulfur)aniline
IUPAC Name	3-(pentafluoro-λ6-sulfanyl)aniline
InChI	InChI=1S/C6H6F5NS/c7-13(8,9,10,11)6-3-1-2-5(12)4-6/h1-4H,12H2
InChI Key	NUFLICUHOXHWER-UHFFFAOYSA-N
MDL Number	MFCD00674199
Molecular Formula	C6H6F5NS
Molecular Weight	219.1756
SMILES	Nc1cccc(c1)S(F)(F)(F)(F)F
Synonyms	2993-22-8, 3-Aminophenylsulfur Pentafluoride, 3-(Pentafluorosulfur)aniline, 3-Aminophenylsulphur pentafluoride, 3-(Pentafluorothio)aniline, 3-(Pentafluorosulfanyl)aniline, MFCD00674199, Sulfur,(3-aminophenyl)pentafluoro-, (OC-6-21)- (9CI), 3-AMINOPHENYLSULFURPENTAFLUORIDE, AC1MCUYZ, ACMC-1COU4, 3-pentafluorosulfanylaniline, 3-Pentafluorosulphanylaniline, 3-pentafluorosulfanylphenylamine, SCHEMBL1633970, 3-aminopentafluorosulfanylbenzene, 3-[Pentafluorothio(VI)]aniline, CTK4G4086, DTXSID80381309, NUFLICUHOXHWER-UHFFFAOYSA-N, 3-(Pentafluorosulfanyl)phenylamine, ANW-26736, BBL100569, SBB095750, STL554363, ZINC95676551, 3-(pentafluoro-lambda-sulfanyl)aniline, AKOS005254762, 3-(pentafluoro-lambda6-sulfanyl)aniline, 3-Aminophenylsulfur pentafluoride, 98%, 3-(pentafluoro-$l^{6}-sulfanyl)aniline, PS-11475, 3-(pentafluoro-lambda~6~-sulfanyl)aniline, 3-(PENTAFLUORO-??-SULFANYL)ANILINE, TC-115481, FT-0684429, K-7222, I14-30474, InChI=1/C6H6F5NS/c7-13(8,9,10,11)6-3-1-2-5(12)4-6/h1-4H,12H, 3-(pentafluoro-, Boc-Cha-OH, CID2779188, CID 2779188, A2042, 37736-82-6,

Complexity	208
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-H315-H319-H331
Packing Group	Ⅲ
Precautionary statements	P262-P280-P301+P310-P301+P330+P331-P303+P361+P353-P304+P341-P305+P351+P338-P310
UN Code	UN 2811

Certificate of Analysis

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