AG0033TZ

394-59-2 | 4-(Trifluoroacetyl)toluene

AG0033TZ

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CAS Number	394-59-2
Catalog Number	AG0033TZ(AGN-PC-0JMOQE)
Chemical Name	4-(Trifluoroacetyl)toluene
IUPAC Name	2,2,2-trifluoro-1-(4-methylphenyl)ethanone
InChI	InChI=1S/C9H7F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5H,1H3
InChI Key	DYILUJUELMWXAL-UHFFFAOYSA-N
MDL Number	MFCD00052338
Molecular Formula	C9H7F3O
Molecular Weight	188.1465
NSC Number	142255
SMILES	FC(C(=O)C1=CC=C(C=C1)C)(F)F
Synonyms	394-59-2, 4-(Trifluoroacetyl)toluene, 2,2,2-trifluoro-1-(p-tolyl)ethanone, 4'-Methyl-2,2,2-trifluoroacetophenone, 2,2,2-trifluoro-1-p-tolylethanone, 2,2,2-Trifluoro-4'-methylacetophenone, 2,2,2-trifluoro-1-(4-methylphenyl)ethanone, 2,2,2-trifluoro-1-(4-methylphenyl)ethan-1-one, DYILUJUELMWXAL-UHFFFAOYSA-N, MFCD00052338, 2,2,2-trifluoro-1-p-tolyl-ethanone, NSC142255, 4-Trifluoroacetyltoluene, ACMC-209j5m, trifluoromethyl-4-tolylketone, SCHEMBL1047383, CTK4I1373, DTXSID00192590, AC1L3823, KS-00000FP6, ZINC1726711, ANW-29096, SBB090722, AKOS000442189, AM82896, AS06848, FS-1137, MCULE-4056829872, NSC-142255, RL03501, VF10279, AJ-31104, AK117502, AN-44707, CJ-29338, SY050055, 2,2,2-trifluoro-1-(p-tolyl)ethan-1-one, AB0034169, AB1005600, DB-049417, TR-015784, 4CH-024712, CS-0077582, FT-0616867, ST24038393, ST50825284, X8278, MFCD00052338 (97%), 2,2,2-trifluoro-1-(4-methylphenyl)-ethanone, Y-8856, Ethanone,2,2,2-trifluoro-1-(4-methylphenyl)-, A824555, Ethanone, 2,2,2-trifluoro-1-(4-methylphenyl)-, 2,2,2-tris(fluoranyl)-1-(4-methylphenyl)ethanone, I01-8441, J-506748, 2,2,2-Trifluoro-4 inverted exclamation mark -methylacetophenone, null, 4- TOLUENE, C9H7F3O, CID136237, 4-(Trifluoroacetyl)toluene, 98% - 1G 1g, T1973,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.045g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.149g/mol
Monoisotopic Mass	188.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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