| Identification | Back Directory | [Name]
Ethyl (5-bromo-2-fluorobenzoyl)acetate | [CAS]
1020058-47-2 | [Synonyms]
Ethyl (5-bromo-2-fluorobenzoyl)acetate
Ethyl 5-bromo-2-fluoro-β-oxobenzenepropanoate
ethyl 3-(5-bromo-2-fluorophenyl)-3-oxopropanoate
5-Bromo-2-fluoro-beta-oxobenzenepropanoic acid ethyl ester
Benzenepropanoic acid, 5-bromo-2-fluoro-β-oxo-, ethyl ester | [Molecular Formula]
C11H10BrFO3 | [MDL Number]
MFCD09991886 | [MOL File]
1020058-47-2.mol | [Molecular Weight]
289.1 |
| Chemical Properties | Back Directory | [Melting point ]
34-39 °C | [Boiling point ]
325.6±32.0 °C(Predicted) | [density ]
1.487±0.06 g/cm3(Predicted) | [Fp ]
110 °C | [storage temp. ]
Store at room temperature | [form ]
powder | [pka]
10.10±0.50(Predicted) | [Appearance]
Off-white to light yellow <34°C Solid,>39°C Liquid | [InChI]
1S/C11H10BrFO3/c1-2-16-11(15)6-10(14)8-5-7(12)3-4-9(8)13/h3-5H,2,6H2,1H3 | [InChIKey]
XODIHCQWLRSGQI-UHFFFAOYSA-N | [SMILES]
CCOC(=O)CC(=O)c1cc(Br)ccc1F |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22-36/37/38 | [Safety Statements ]
26 | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
Ethyl 3-(5-bromo-2-fluorophenyl)-3-oxopropanoate is a reactant used in the preparation of 4-Oxo-1-aryl-1,4-dihydroquinoline-3-carboxamides as selective negative allosteric modulators of metabotropic glutamate receptor subtype 2. |
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| Company Name: |
Sigma-Aldrich
|
| Telephone: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
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