AG005K89

720-94-5 | 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione

AG005K89

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CAS Number	720-94-5
Catalog Number	AG005K89(AGN-PC-0BXAV1)
Chemical Name	4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione
EC Number	615-712-2
IUPAC Name	4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione
InChI	InChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3
InChI Key	WRZMHTIRFOFFPY-UHFFFAOYSA-N
MDL Number	MFCD00517909
Molecular Formula	C11H9F3O2
Molecular Weight	230.1832
SMILES	C(=O)(CC(=O)C(F)(F)F)c1ccc(cc1)C
Synonyms	720-94-5, 4,4,4-trifluoro-1-(p-tolyl)butane-1,3-dione, 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione, l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione, 1-(4-methylphenyl)-4,4,4-trifluorobutane-1,3-dione, 4,4,4-trifluoro-1-[4-(methyl)phenyl]-butane-1,3-dione, 4,4,4-trifluoro-1-p-tolylbutane-1,3-dione, 1-(4-Methylphenyl)-4,4,4-triflurobutane-1,3-dione, 3-(4-methylbenzoyl)-1,1,1-trifluoroacetone, WRZMHTIRFOFFPY-UHFFFAOYSA-N, 1,3-Butanedione, 4,4,4-trifluoro-1-(4-methylphenyl)-, 4,4,4-Trifluoro-1-p-tolyl-butane-1,3-dione, 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione, TOS-BB-0661, PubChem19836, AC1LB2GV, SCHEMBL1593867, CTK5D5527, KS-00000JNM, DTXSID00338613, ACT04868, ALBB-006417, BCP08844, ANW-73998, BBL010147, MFCD00517909, SBB020540, STK298732, AKOS000210504, ZINC100003183, MCULE-6102866166, RP18105, AK-89668, AN-47408, AS-11425, EN000511, SC-17246, SY038487, AB0003301, TL8005050, TR-023615, 4CH-024399, FT-0632874, ST24042524, ST45092309, MFCD00517909 (97%), A-8998, 1,3-Butanedione, 4,4,4-trifluoro-1-p-tolyl-, 720M945, A837422, I01-7074, J-513961, 1-(4-Methylphenyl)-4,4,4-trifluoro-1,3-butanedione, 4,4,4-trifluoro-1-(4-methylphenyl)-1,3 butanedione, 4,4,4-Trifluoro-1-(4-methylphenyl)-1,3-butanedione, 1,3-Butanedione,4,4,4-trifluoro-1-(4-methylphenyl)-, 1-(4-methyl-phenyl)-4,4,4-trifluoro-butane-1,3-dione, 4,4,4-trifluoro-1-(4-methyl-phenyl)-butane-1,3-dione, 4,4,4-Trifluoro-1-(4-methylphenyl)-1,3-butanedione #, 4,4,4-trifluoro-1-(4-methylphenyl)-butane-1,3-dione, 4-(4'-methylphenyl)-1,1,1-trifluoro-2,4-butanedione, 1-(4-Methylphenyl)-4,4,4-trifluorobutane - 1,3- dione, 4,4,4-tris(fluoranyl)-1-(4-methylphenyl)butane-1,3-dione, Benzene, 1-(3-trifluoromethyl-3-hydroxypropenoyl)-4-methyl-, 4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione, AldrichCPR, C11H9F3O2, CID550193, l- -4,4,4-trifluorobutane-1,3-dione, T2997, EC 615-712-2,

Complexity	275
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.055g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.186g/mol
Monoisotopic Mass	230.055g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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

Lot Number