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| CAS No.: | 565-53-7 |
|---|---|
| Name: | Ethyl dibromofluoroacetate |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H5 Br2 F O2 |
| Molecular Weight: | 263.889 |
| Synonyms: | Aceticacid, dibromofluoro-, ethyl ester (6CI,7CI,8CI,9CI); Ethyl dibromofluoroacetate |
| EINECS: | -0 |
| Density: | 1.894 |
| Melting Point: | 157-161 ºC |
| Boiling Point: | 82 ºC (p=33 torr) |
| Flash Point: | 57.9 ºC |
| Solubility: | Miscible with most organic solvents. Immiscible with water. |
| Hazard Symbols: |
 T C
|
| Risk Codes: | 21/22-34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 26.30000 |
| LogP: | 1.96260 |
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Chemistry
Molecular Formula: C4H5Br2FO2
Molar mass: 263.8877 g/mol
Density: 2.031 g/cm3
Flash Point: 57.9 °C
Index of Refraction: 1.496
Boiling Point: 172.1 °C at 760 mmHg
Vapour Pressure: 1.36 mmHg at 25°C
Melting point: 157-161°C
Product categories of Ethyl dibromofluoroacetate (565-53-7): Fluorinated Building Blocks;Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds;Synthetic Organic Chemistry
Structure of Ethyl dibromofluoroacetate (565-53-7):
Systematic Name: Ethyl 2,2-dibromo-2-fluoro-acetate
SMILES: BrC(Br)(F)C(=O)OCC
InChI: InChI=1/C4H5Br2FO2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey: COYRDMUQLSIAEX-UHFFFAOYAB
Std. InChI: InChI=1S/C4H5Br2FO2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
Std. InChIKey: COYRDMUQLSIAEX-UHFFFAOYSA-N
Uses
Ethyl dibromofluoroacetate (565-53-7) can be used for pharmaceutical intermediate.
Safety Profile
Hazard Codes: T.gif){kind=small}
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Risk Statements:
21: Harmful in contact with skin
22: Harmful if swallowed
34: Causes burns
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Specification
Ethyl dibromofluoroacetate (565-53-7) also can be called Dibromofluoroacetic acid ethyl ester and 4-(Trifluoromethylthio)benzylalcohol .