AG003TQ9

2557-81-5 | Phenylsulfur Pentafluoride

AG003TQ9

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CAS Number	2557-81-5
Catalog Number	AG003TQ9(AGN-PC-0R1CCC)
Chemical Name	Phenylsulfur Pentafluoride
IUPAC Name	pentafluoro(phenyl)-λ6-sulfane
InChI	InChI=1S/C6H5F5S/c7-12(8,9,10,11)6-4-2-1-3-5-6/h1-5H
InChI Key	DMNYFEWFSFTYEL-UHFFFAOYSA-N
MDL Number	MFCD09263740
Molecular Formula	C6H5F5S
Molecular Weight	204.1609
SMILES	FS(F)(F)(F)(C1=CC=CC=C1)F
Synonyms	Phenylsulfur pentafluoride, 2557-81-5, Phenylsulfurpentafluoride, 1-(pentafluorosulfanyl)benzene, Pentafluorothiobenzene, (Pentafluorothio)benzene, ACMC-1CKSR, pentafluorosulfanylbenzene, Ph-SF5, Pentafluorothio(VI)benzene, SULFUR,PENTAFLUOROPHENYL-, (OC-6-21)-, SCHEMBL943617, CTK8C5461, (pentafluoro-??-sulfanyl)benzene, DTXSID90433126, DMNYFEWFSFTYEL-UHFFFAOYSA-N, ZX-AP001971, MFCD09263740, AKOS025310321, ZINC100042528, ACM2557815, FCH1323568, PC49103, TC-165459, P1969, J-016057, CID9942464, CID 9942464,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.003g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.158g/mol
Monoisotopic Mass	204.003g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P233-P240-P241-P242-P243-P260-P261-P264-P271-P280-P302+P352-P303+P361+P353-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P370+P378-P403-P403+P233-P403+P235-P405-P501
UN Code	UN 1993

Certificate of Analysis

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