Basic information
- Name:
2,5-Furandicarboxylicacid, 2,5-dimethyl ester
- Superlist Name:
- Dimethyl furan-2,5-dicarboxylate
- CAS No.:
4282-32-0
- Molecular Structure:
- Formula:
- C8H8O5
- Molecular Weight:
- 184.15
- Synonyms:
- 2,5-Furandicarboxylicacid, dimethyl ester (6CI,7CI,8CI,9CI);Dimethyl 2,5-furandicarboxylate;NSC191940;2,5-furandicarboxylic acid, dimethyl ester;
- Density:
- 1.244 g/cm3
- Boiling Point:
- 270.9 °C at 760 mmHg
- Flash Point:
- 117.6 °C
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Specification
The Dimethyl furan-2,5-dicarboxylate, with the cas registry number 4282-32-0, is also called 2,5-furandicarboxylic acid, dimethyl ester. And the molecular formula of the chemical is C8H8O5.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 65.74 Å2; (7)Index of Refraction: 1.48; (8)Molar Refractivity: 42.09 cm3; (9)Molar Volume: 148 cm3; (10)Polarizability: 16.68×10-24cm3; (11)Surface Tension: 39.4 dyne/cm; (12)Density: 1.244 g/cm3; (13)Flash Point: 117.6 °C; (14)Enthalpy of Vaporization: 50.91 kJ/mol; (15)Boiling Point: 270.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00666 mmHg at 25°C.
Preparation of Dimethyl furan-2,5-dicarboxylate: This chemical can be prepared by methanol and furan-2,5-dicarboxylic acid. The reaction will need reagent p-toluenesulfonic acid monohydrate. The reaction time is 3 hours with heating, and the yield is about 68%.
Uses of Dimethyl furan-2,5-dicarboxylate: It can produce furan-2,5-dicarboxylic acid dihydrazide. This reaction will need reagent hydrazine hydrate, and the menstruum methanol. The reaction time is 2 hours with heating, and the yield is about 88%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)c1oc(C(=O)OC)cc1
(2)InChI: InChI=1/C8H8O5/c1-11-7(9)5-3-4-6(13-5)8(10)12-2/h3-4H,1-2H3
(3)InChIKey: UWQOPFRNDNVUOA-UHFFFAOYAK