AG003O30

326-06-7 | Benzoyl-1,1,1-trifluoroacetone

AG003O30

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CAS Number	326-06-7
Catalog Number	AG003O30(AGN-PC-0JL7WG)
Chemical Name	Benzoyl-1,1,1-trifluoroacetone
EC Number	206-307-8
IUPAC Name	4,4,4-trifluoro-1-phenylbutane-1,3-dione
InChI	InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key	VVXLFFIFNVKFBD-UHFFFAOYSA-N
MDL Number	MFCD00000425
Molecular Formula	C10H7F3O2
Molecular Weight	216.1566
NSC Number	42628
SMILES	O=C(c1ccccc1)CC(=O)C(F)(F)F
Synonyms	4,4,4-TFBP, 4,4,4-trifluoro-1-phenyl-1,3-butanedione, 326-06-7, 4,4,4-Trifluoro-1-phenylbutane-1,3-dione, Benzoyl-1,1,1-trifluoroacetone, 4,4,4-Trifluoro-1-phenyl-1,3-butanedione, Benzoyltrifluoroacetone, 3-Benzoyl-1,1,1-trifluoroacetone, Benzoyl(trifluoroacetyl)methane, 1,3-Butanedione, 4,4,4-trifluoro-1-phenyl-, 4,4,4-Trifluoro-1-phenyl-butane-1,3-dione, 1-Benzoyl-3,3,3-trifluoroacetone, MFCD00000425, NSC 42628, .omega.-(Trifluoroacetyl)acetophenone, 1-Benzoyl-3,3,3-trifluoro-2-propanone, CHEMBL421036, VVXLFFIFNVKFBD-UHFFFAOYSA-N, 1,1,1-Trifluoro-4-phenyl-2,4-butanedione, 1,1,1-trifluoro-4-phenylbutane-2,4-dione, 4,4,4-Trifluoro-1-phenyl-1,3-butanedione, 99%, trifluorobenzoylacetone, omega-(Trifluoroacetyl)acetophenone, EINECS 206-307-8, benzoyl trifluoroacetone, PubChem12646, ACMC-1CO8Y, AC1L27VT, DSSTox_CID_29124, DSSTox_RID_83343, DSSTox_GSID_49268, SCHEMBL523476, AC1Q4I43, AC1Q5F15, 1-Benzoyl-3,3-trifluoroacetone, 3-Benzoyl-1,1-trifluoroacetone, DTXSID2049268, KS-00000VQA, TOS-BB-0660, HMS1765N10, 1, 4,4,4-trifluoro-1-phenyl-, NSC42628, Tox21_202821, ANW-27384, BBL013135, BDBM50121960, NSC-42628, SBB073223, STK400152, 1-Benzoyl-3,3-trifluoro-2-propanone, AKOS000210550, ZINC100004384, LS40310, MCULE-2506219237, RTR-030755, TRA0034333, NCGC00260367-01, AS-40413, BTA; 3-Benzoyl-1,1,1-trifluoroacetone, CAS-326-06-7, SC-17464, SY021552, AB1007428, DB-013159, TR-030755, 1-Phenyl-4,4,4-trifluoro-1,3-butanedione, 1-Phenyl-4,4,4-trifluorobutane-1,3-dione, 1-Trifluoromethyl-3-phenyl-1,3-propanedione, 4-Phenyl-1,1,1-trifluorobutane-2,4-dione, FT-0622745, ST24028662, ST45021462, Z2346, 1-phenyl-4,4,4-trifluoro-butane-1,3-dione, MFCD00000425 (97%), A18637, X-4443, SR-01000389031, J-018802, SR-01000389031-1, I01-10308, F0348-2294, C10H7F3O2, CID67589, AR-1L7366, C10-H7-F3-O2, T0437, 1-Phenyl-4,4,4-trifluorobutane-1,3-dione 1kg, 4,4,4-Trifluoro-1-phenylbutane-1,3-dione, 98% - 100G 100g, 3349-63-1, Bta,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.04g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.159g/mol
Monoisotopic Mass	216.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number