AG0035YJ

372-31-6 | Ethyl 4,4,4-trifluoroacetoacetate

AG0035YJ

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CAS Number	372-31-6
Catalog Number	AG0035YJ(AGN-PC-0JL81O)
Chemical Name	Ethyl 4,4,4-trifluoroacetoacetate
EC Number	206-750-7
IUPAC Name	ethyl 4,4,4-trifluoro-3-oxobutanoate
InChI	InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChI Key	OCJKUQIPRNZDTK-UHFFFAOYSA-N
MDL Number	MFCD00000424
Molecular Formula	C6H7F3O3
Molecular Weight	184.1132
NSC Number	42739
SMILES	FC(C(CC(=O)OCC)=O)(F)F
Synonyms	ethyl 4,4,4-trifluoroacetoacetate, ethyl-4,4,4-trifluoroacetoacetate, Ethyl 4,4,4-trifluoroacetoacetate, 372-31-6, Ethyl trifluoroacetoacetate, Ethyl 4,4,4-trifluoro-3-oxobutanoate, 4,4,4-trifluoro-3-oxobutanoic acid ethyl ester, Ethyl (trifluoroacetyl)acetate, 4,4,4-Trifluoroacetoacetic acid ethyl ester, Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester, ethyl-4,4,4-trifluoroacetoacetate, ETFAA, trifluoroacetoacetic acid ethyl ester, MFCD00000424, NSC 42739, 4,4,4-Trifluoro-3-oxo-butyric acid ethyl ester, ethyl 3-oxo-4,4,4-trifluoroacetoacetate, CHEMBL152164, ethyl 4,4-trifluoroacetoacetate, ETHYL 4,4,4-TRIFLUORO-3-OXOBUTYRATE, OCJKUQIPRNZDTK-UHFFFAOYSA-N, Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester, Ethyl 3-oxo-4,4,4-trifluorobutyrate, ethyl 3-trifluoromethyl-3-oxo-propionate, ethyl 4,4,4-trifluoro-3-oxo-butanoate, Q-102541, Ethyl 4,4,4-trifluoroacetoacetate, 97%, ethyl4,4,4-trifluoroacetoacetate, EINECS 206-750-7, PubChem12638, ACMC-209irt, CF3COCH2CO2Et, AI3-52657, ethyl triflouroacetoacetate, EC 206-750-7, ethyl trifluoro-acetoacetate, AC1L28CB, AC1Q34MZ, AC1Q5C4O, SCHEMBL77331, KSC223C7B, DTXSID5059905, CTK1C3170, KS-00000BBJ, ethyl-4,4,4-trifluoracetoacetate, ACT08922, BCP27409, CS-B0893, NSC42739, ZINC6844444, ZX-AP005056, ethyl 4,4,4,-trifluoroacetoacetate, ethyl 4,4,4-trifluoroacetoacetate;, ANW-28599, BDBM50121956, NSC-42739, PC3280, RW2127, SBB008825, STK400144, trifluoroacetylacetic acid ethyl ester, AKOS000119777, EBD2204334, ethyl-4,4,4-trifluoro-3-oxobutanoate, LS40115, RP24444, RP24445, RTR-015146, TRA0029413, ZH10006, ethyl 3-keto-4,4,4-trifluorobutanoate, AN-44610, BC207145, CC-27962, Ethyl 4,4,4-trifluoroacetoacetate, 99%, SC-17435, SC-51893, DB-049085, TL8002743, TR-015146, Acetoacetic acid, 4-trifluoro-, ethyl ester, ETHYL (2,2,2-TRIFLUOROACETO)ACETATE, Ethyl omega,omega,omega-trifluoroacetoacetate, FT-0626053, ST50308268, Acetoacetic acid,4,4-trifluoro-, ethyl ester, Y-9468, 4,4,4-trifluoro-3-oxo-butanoic acid ethyl ester, Butanoic acid,4,4-trifluoro-3-oxo-, ethyl ester, C-07179, 3S103742, 3S211037, Ethyl .gamma.,.gamma.,.gamma.-trifluoroacetoacetate, Ethyl .omega.,.omega.,.omega.-trifluoroacetoacetate, I14-0079, J-802209, F0001-1070, Ethyl 4,4,4-trifluoroacetoacetate, Lonza quality, >=98.0% (GC), N-BUTYL NITRITE, C6H7F3O3, Ethyl 4,4,-Trifluoroacetoacetate, C6-H7-F3-O3, CID67793, AR-1J0054, 4,4,4-Trifluoracetethansaureethylester, Ethyl 4,4,4-trifluoroacetoacetate 1kg, ethyl3-hydroxy-4,4,4-trifluorobutyrate, T0810, omega,omega,omega-Trifluoracetessigsaureethylester, Ethyl 4,4,4-trifluoroacetoacetate, 98% - 100ML 100ml, 106260-08-6, 372-30-5, 39079-58-8,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.035g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.114g/mol
Monoisotopic Mass	184.035g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302-H412-H402
Packing Group	Ⅲ
Precautionary statements	P273-P210-P240-P241-P280a-P303+P361+P353-P501a
UN Code	UN 3272

Certificate of Analysis

Lot Number