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| CAS No.: | 30614-77-8 |
|---|---|
| Name: | DIETHYL 3,4-FURANDICARBOXYLATE |
| Molecular Structure: | |
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| Formula: | C10H12O5 |
| Molecular Weight: | 212.202 |
| Synonyms: | 3,4-Furandicarboxylicacid, diethyl ester (6CI,7CI,8CI,9CI);2,3-Bis(ethoxycarbonyl)furan;3,4-Bis(ethoxycarbonyl)furan; |
| EINECS: | 250-262-7 |
| Density: | 1.172 g/cm3 |
| Boiling Point: | 287.6 °C at 760 mmHg |
| Flash Point: | 107.8 °C |
| Appearance: | clear colorless liquid |
| PSA: | 65.74000 |
| LogP: | 1.63300 |
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Specification
The Diethyl 3,4-furandicarboxylate is an organic compound with the formula C10H12O5. The IUPAC name of this chemical is diethyl furan-3,4-dicarboxylate. With the CAS registry number 30614-77-8, it is also named as 3,4-Furandicarboxylic acid, diethyl ester. The product's categories are API Intermediates; Building Blocks; Furans; Heterocyclic Building Blocks. Besides, it is a clear colorless liquid, which should be stored in a cool, dry place.
Physical properties about Diethyl 3,4-furandicarboxylate are: (1)ACD/LogP: 1.70; (2)ACD/LogD (pH 5.5): 1.69; (3)ACD/LogD (pH 7.4): 1.69; (4)ACD/BCF (pH 5.5): 11.43; (5)ACD/BCF (pH 7.4): 11.43; (6)ACD/KOC (pH 5.5): 199.01; (7)ACD/KOC (pH 7.4): 199.01; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 65.74 Å2; (11)Index of Refraction: 1.479; (12)Molar Refractivity: 51.36 cm3; (13)Molar Volume: 181 cm3; (14)Polarizability: 20.36×10-24cm3; (15)Surface Tension: 38.3 dyne/cm; (16)Density: 1.172 g/cm3; (17)Flash Point: 107.8 °C; (18)Enthalpy of Vaporization: 52.67 kJ/mol; (19)Boiling Point: 287.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00247 mmHg at 25°C.
Uses of Diethyl 3,4-furandicarboxylate: it can be used to produce 3,4-bis-hydroxymethyl-furan. It will need reagent lithium alanate and diethyl ether.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cocc1C(=O)OCC
(2)InChI: InChI=1/C10H12O5/c1-3-14-9(11)7-5-13-6-8(7)10(12)15-4-2/h5-6H,3-4H2,1-2H3
(3)InChIKey: ZODFWNHYQARJLC-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H12O5/c1-3-14-9(11)7-5-13-6-8(7)10(12)15-4-2/h5-6H,3-4H2,1-2H3
(5)Std. InChIKey: ZODFWNHYQARJLC-UHFFFAOYSA-N