AG0034X0

13081-18-0 | Ethyl 3,3,3-trifluoro-2-oxopropanoate

AG0034X0

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CAS Number	13081-18-0
Catalog Number	AG0034X0(AGN-PC-0KK8E1)
Chemical Name	Ethyl 3,3,3-trifluoro-2-oxopropanoate
EC Number	603-440-7
IUPAC Name	ethyl 3,3,3-trifluoro-2-oxopropanoate
InChI	InChI=1S/C5H5F3O3/c1-2-11-4(10)3(9)5(6,7)8/h2H2,1H3
InChI Key	KJHQVUNUOIEYSV-UHFFFAOYSA-N
MDL Number	MFCD00114935
Molecular Formula	C5H5F3O3
Molecular Weight	170.0866
SMILES	FC(C(C(=O)OCC)=O)(F)F
Synonyms	ethyl trifluoropyruvate, Ethyl Trifluoropyruvate, 13081-18-0, ethyl 3,3,3-trifluoro-2-oxopropanoate, ethyltrifluoropyruvate, Ethyl 3,3,3-trifluoropyruvate, Trifluoropyruvic Acid Ethyl Ester, MFCD00114935, Propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester, Ethyl 2-oxo-3,3,3-trifluoropropanoate, 3,3,3-trifluoro-2-oxopropanoic acid ethyl ester, ethyl trifluorpyruvate, ethyl-trifluoropyruvate, PubChem2013, E-TFPA, ACMC-209bjo, AC1MC6ZO, KSC182E1H, SCHEMBL166910, Ethyl3,3,3-Trifluoropyruvate, C5H5O3F3, Ethyl 3,3,3 trifluoropyruvate, Jsp001858, CTK0I2213, DTXSID50371934, ETHYL TRIFLUOROPYRORACEMATE, KJHQVUNUOIEYSV-UHFFFAOYSA-N, ACT07104, KS-00000BK9, ZINC2159467, 5604AA, ANW-19234, FD2022, SBB088358, AKOS005063330, AM61327, CS-W002381, EF10060, Ethyl 3,3,3-trifluoropyruvate, 97%, LS40944, RP23203, RTR-004214, Ethyl 3,3,3-trifluoropyruvate, 98+%, ethyl-3,3,3-trifluoro-2-oxopropanoate, AJ-33696, AK-45472, CJ-33137, SC-00757, AB0055716, DB-001378, TR-004214, FT-0626249, ST24030534, ETHYL 2-OXO-3,3,3-TRIFLUOROPROPIONATE, K-4067, 081E180, 3,3,3-Trifluoro-2-oxopropionic acid ethyl ether, A806153, 3S100603, 3S210852, I14-1221, J-005881, J-521357, ethyl 3,3,3-tris(fluoranyl)-2-oxidanylidene-propanoate, F0001-0412, Ethyl trifluoropyruvate 1kg, C5H5F3O3, ACN-S002442, ZINC02159467, CID2737239, T1434, Ethyl 3,3,3-trifluoropyruvate, 98% - 25G 25g,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.019g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.087g/mol
Monoisotopic Mass	170.019g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302-H315-H319
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 3272

Certificate of Analysis

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