Ethyl 2,4,5-Trifluorobenzoylacetate - CAS 98349-24-7
Catalog: |
BB042147 |
Product Name: |
Ethyl 2,4,5-Trifluorobenzoylacetate |
CAS: |
98349-24-7 |
Synonyms: |
3-oxo-3-(2,4,5-trifluorophenyl)propanoic acid ethyl ester; ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate |
IUPAC Name: | ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate |
Description: | Ethyl 2,4,5-Trifluoro-β-oxobenzenepropanoate can be used to prepare aminopyrrolidinyl)quinolinecarboxylates with antitumor activities. |
Molecular Weight: | 246.18 |
Molecular Formula: | C11H9F3O3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC(=C(C=C1F)F)F |
InChI: | InChI=1S/C11H9F3O3/c1-2-17-11(16)5-10(15)6-3-8(13)9(14)4-7(6)12/h3-4H,2,5H2,1H3 |
InChI Key: | OTCJYVJORKMTHX-UHFFFAOYSA-N |
Boiling Point: | 283.1 °C at 760 mmHg |
Density: | 1.319 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD00792431 |
LogP: | 2.23980 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112142595-A | Preparation method and purification method of ethyl 2, 4, 5-trifluorobenzoylacetate | 20201012 |
WO-2021178420-A1 | Compounds targeting rna-binding proteins or rna-modifying proteins | 20200303 |
CN-108892640-B | Method for efficiently and environmentally preparing quinolone saxacin medicament | 20180813 |
CN-108440291-B | Method for dehydrogenation and self-coupling of 1, 3-dicarbonyl compound under catalysis of visible light | 20180326 |
CA-3065163-A1 | Antibiotic resistance breakers | 20170530 |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.05037863 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.05037863 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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