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5870-37-1

Basic Information
CAS No.: 5870-37-1
Name: 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, diMethyl ester
Article Data: 21
Molecular Structure:
Molecular Structure of 5870-37-1 (1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, diMethyl ester)
Formula: C10H10O6
Molecular Weight: 226.186
Synonyms: 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, dimethyl ester;
EINECS: 807-699-9
Density: 1.395 g/cm3
Boiling Point: 389.2 °C at 760 mmHg
Flash Point: 154.6 °C
PSA: 93.06000
LogP: 0.67100
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  • 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, diMethyl ester

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    1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, diMethyl ester

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Specification

The CAS registry number of Dimethyl 2,5-dihydroxyterephthalate is 5870-37-1. This chemical is also named as 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, dimethyl ester. In addition, its molecular formula is C10H10O6 and molecular weight is 226.1828. Its systematic name is called dimethyl 2,5-dihydroxybenzene-1,4-dicarboxylate.

Physical properties about Dimethyl 2,5-dihydroxyterephthalate are: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Index of Refraction: 1.575; (7)Molar Refractivity: 53.56 cm3; (8)Molar Volume: 162 cm3; (9)Surface Tension: 57.8 dyne/cm; (10)Density: 1.395 g/cm3; (11)Flash Point: 154.6 °C; (12)Enthalpy of Vaporization: 66.35 kJ/mol; (13)Boiling Point: 389.2 °C at 760 mmHg.

Preparation: this chemical can be prepared by Dimethyl-2,5-dihydroxy-1,4-cyclohexadiene-1,4-dicarboxylat. This reaction will need reagent MnO2 and solvent toluene. The reaction time is 30 mins by heating. The yield is about 40 %.

Dimethyl 2,5-dihydroxyterephthalate can be prepared by Dimethyl-2,5-dihydroxy-1,4-cyclohexadiene-1,4-dicarboxylat

Uses of Dimethyl 2,5-dihydroxyterephthalate: it can be used to produce 2,5-Dichloro-3,6-dicarbomethoxybenzochinon at temperature of 0-5 °C. It will need reagents FeCl3, Cl2 and solvent CCl4. The yield is about 71 %.

Dimethyl 2,5-dihydroxyterephthalate can be used to produce 2,5-Dichloro-3,6-dicarbomethoxybenzochinon

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(O)c(cc1O)C(=O)OC
(2)InChI: InChI=1/C10H10O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4,11-12H,1-2H3
(3)InChIKey: WABMHCVYKWKAAH-UHFFFAOYAR