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| CAS No.: | 680-65-9 |
|---|---|
| Name: | Diethyl 2,2-difluoromalonate |
| Molecular Structure: | |
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| Formula: | C7H10F2O4 |
| Molecular Weight: | 196.151 |
| Synonyms: | Malonicacid, difluoro-, diethyl ester (6CI,7CI,8CI);Propanedioic acid, difluoro-,diethyl ester (9CI);Diethyl difluoromalonate;NSC 92219; |
| EINECS: | -0 |
| Density: | 1.21 g/cm3 |
| Boiling Point: | 181.2 °C at 760 mmHg |
| Flash Point: | 62.1 °C |
| Solubility: | Not miscible or difficult to mix in water. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39-45-36 |
| PSA: | 52.60000 |
| LogP: | 0.74790 |
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Specification
The Diethyl 2,2-difluoromalonate with cas registry number of 680-65-9, belongs to the following product categories: API intermediates. It has the systematic name of diethyl difluoropropanedioate. And its IUPAC name is diethyl 2,2-difluoropropanedioate. Besides this, it is also named propanedioic acid, 2,2-difluoro-, diethyl ester.
Physical properties about this chemical are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.389; (8)Molar Refractivity: 38.32 cm3; (9)Molar Volume: 161.9 cm3; (10)Polarizability: 15.19×10-24cm3; (11)Surface Tension: 28.4 dyne/cm; (12)Enthalpy of Vaporization: 41.75 kJ/mol; (13)Vapour Pressure: 0.861 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Diethyl 2,2-difluoromalonate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(=O)OCC)C(=O)OCC;
(2)InChI: InChI=1/C7H10F2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3;
(3)InChIKey: WCRVWLHTROHXBB-UHFFFAOYAN;
(4)Std. InChI: InChI=1S/C7H10F2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3;
(5)Std. InChIKey: WCRVWLHTROHXBB-UHFFFAOYSA-N