AG003KC1

825-83-2 | 4-(TRIFLUOROMETHYL)THIOPHENOL

AG003KC1

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CAS Number	825-83-2
Catalog Number	AG003KC1(AGN-PC-0JMP01)
Chemical Name	4-(TRIFLUOROMETHYL)THIOPHENOL
IUPAC Name	4-(trifluoromethyl)benzenethiol
InChI	InChI=1S/C7H5F3S/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
InChI Key	WCMLRSZJUIKVCW-UHFFFAOYSA-N
MDL Number	MFCD00042320
Molecular Formula	C7H5F3S
Molecular Weight	178.1748
SMILES	SC1=CC=C(C(F)(F)F)C=C1
Synonyms	4-(Trifluoromethyl)thiophenol, 825-83-2, 4-(trifluoromethyl)benzenethiol, 4-(trifluoromethyl)benzene-1-thiol, 4-Trifluoromethyl thiophenol, 4-trifluoromethylthiophenol, 4-Mercaptobenzotrifluoride, WCMLRSZJUIKVCW-UHFFFAOYSA-N, Benzenethiol, 4-(trifluoromethyl)-, MFCD00042320, 4-(Trifluoromethyl)T, ACMC-20amtl, PubChem6864, 4trifluoromethylbenzenethiol, AC1L38ZP, 4-trifluoromethylbenzenethiol, 4-tri-fluoromethylbenzenethiol, SCHEMBL415546, p-(trifluoromethyl)benzenethiol, 4-(Trifluoromethyl)thiophenol;, 4-trifluoromethylbenzene-1-thiol, CTK3F0256, DTXSID90231801, ZINC167080, 4-(Trifluoromethyl)phenyl mercaptan, EBD36135, 4-(Trifluoromethyl)thiophenol, 97%, SBB089395, AKOS005256911, MCULE-5265726613, PS-8559, RP23940, RTR-025807, VZ28041, KS-0000174I, 4-(trifluoromethyl)thiophenol, AldrichCPR, AC-10937, AN-47715, L581, SC-06874, SY032263, DB-056634, TL8006773, TR-025807, FT-0616949, ST51039916, MFCD00042320 (98%), Y-8660, J-513945, 1-Chloromethyl-3-methoxybenzene; 3-(Chloromethyl)anisole, F0001-2116, 4-(Trifluoromethylthio)phenol, 4-(trifluoro methylthio)phenol, CID136653, 4-(Trifluoromethyl)thiophenol, 97% 1g, T2972, 4-(Trifluoromethyl)thiophenol, 98% - 1G 1g, A10046,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.006g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.172g/mol
Monoisotopic Mass	178.006g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H331-H335
Packing Group
Precautionary statements	P261-P280-P304+P340-P305+P351+P338-P405-P501a
Signal Words	danger
UN Code	\N

Certificate of Analysis

Lot Number