AG003TLS

771-62-0 | Pentafluorothiophenol

AG003TLS

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CAS Number	771-62-0
Catalog Number	AG003TLS(AGN-PC-0JKAY2)
Chemical Name	Pentafluorothiophenol
EC Number	212-236-3
IUPAC Name	2,3,4,5,6-pentafluorobenzenethiol
InChI	InChI=1S/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChI Key	UVAMFBJPMUMURT-UHFFFAOYSA-N
MDL Number	MFCD00004828
Molecular Formula	C6HF5S
Molecular Weight	200.1292
NSC Number	88286
SMILES	FC1=C(C(=C(C(=C1S)F)F)F)F
UNII	CM7UNQ95TJ
Synonyms	Pentafluorothiophenol, Pentafluorobenzenethiol, 771-62-0, BENZENETHIOL, PENTAFLUORO-, Pentafluorobenzenethiol-, 2,3,4,5,6-Pentafluorothiophenol, PENTAFLUOROPHENYL MERCAPTAN, NSC88286, 2,3,4,5,6-Pentafluorobenzenethiol, EINECS 212-236-3, UNII-CM7UNQ95TJ, NSC 88286, CM7UNQ95TJ, BRN 1876292, UVAMFBJPMUMURT-UHFFFAOYSA-N, MFCD00004828, Pentafluorothiophenol, 97%, 2,3,4,5,6-pentafluorobenzene-1-thiol, pentafluorobenzene thiol, AC1Q4LAZ, pentafluorobenzene-1-thiol, AC1L20WT, NCIOpen2_001523, SCHEMBL48428, ACMC-209p88, CTK3J1385, DTXSID10227887, 2,3,4,5,6-Pentafluorothiphenol, WLN: SHR BF CF DF EF FF, ZINC2022402, ANW-36966, BBL104032, NSC-88286, SBB092561, STL557846, AKOS000121543, FS-4462, MCULE-6504311114, RTR-024669, TRA0085684, 2,3,4,5,6-Pentafluorobenzenethiol #, CJ-31542, LS-32196, 2,3,4,5,6-Pentafluorophenyl hydrosulfide, 2,3,4,5,6-Pentafluorothiophenol, 97%, DB-056182, TL8005302, TR-024669, FT-0632928, P0861, ST51040037, I14-19696, Pentafluorothiophenol 1kq, C6HF5S, C6-H-F5-S, CID13042, Pentafluorothiophenol, 95% - 25G 25g,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.972g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.126g/mol
Monoisotopic Mass	199.972g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(3)
Hazard statements	H226-H302-H314-H332
Packing Group	Ⅱ
Precautionary statements	P210-P233-P240-P241-P242-P243-P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P330-P363-P370+P378-P403+P235-P405-P501
UN Code	UN 2920

Certificate of Analysis

Lot Number