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Diethyl 2,2-difluoromalonate

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Name

Diethyl 2,2-difluoromalonate

EINECS -0
CAS No. 680-65-9 Density 1.21 g/cm3
PSA 52.60000 LogP 0.74790
Solubility Not miscible or difficult to mix in water. Melting Point N/A
Formula C7H10F2O4 Boiling Point 181.2 °C at 760 mmHg
Molecular Weight 196.151 Flash Point 62.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 680-65-9 (Diethyl 2,2-difluoromalonate) Hazard Symbols IrritantXi
Synonyms

Malonicacid, difluoro-, diethyl ester (6CI,7CI,8CI);Propanedioic acid, difluoro-,diethyl ester (9CI);Diethyl difluoromalonate;NSC 92219;

Article Data 4

Diethyl 2,2-difluoromalonate 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

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