ChemicalBook--->CAS DataBase List--->5870-38-2

5870-38-2

5870-38-2 Structure

5870-38-2 Structure
IdentificationBack Directory
[Name]

DIETHYL 2,5-DIHYDROXYTEREPHTHALATE
[CAS]

5870-38-2
[Synonyms]

Patents
DIETHYL 2,5-DIHYDROXYTEREPHTHALATE
DIETHYL 2 5-DIHYDROXYTEREPHTHALATE 98%
2,5-Dihydroxyterephthalic acid diethyl ester
diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate
4-benzenedicarboxylicacid,2,5-dihydroxy-diethylester
1,4-Benzendicarboxylicacid,2,5-dihydroxy-,diethylester
2,5-Dihydroxy-1,4-benzenedicarboxylic acid diethyl ester
2,5-dihydroxybenzene-1,4-dicarboxylic acid diethyl ester
1,4-Benzenedicarboxylicacid, 2,5-dihydroxy-, 1,4-diethyl ester
[EINECS(EC#)]

227-522-3
[Molecular Formula]

C12H14O6
[MDL Number]

MFCD00055430
[MOL File]

5870-38-2.mol
[Molecular Weight]

254.24
Chemical PropertiesBack Directory
[Melting point ]

135-137 °C(lit.)
[Boiling point ]

408.5±40.0 °C(Predicted)
[density ]

1.303±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

9.59±0.23(Predicted)
[Appearance]

Light yellow to green yellow Solid
[InChI]

InChI=1S/C12H14O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6,13-14H,3-4H2,1-2H3
[InChIKey]

UQOUOXLHXPHDHF-UHFFFAOYSA-N
[SMILES]

C1(C(OCC)=O)=CC(O)=C(C(OCC)=O)C=C1O
[EPA Substance Registry System]

1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, diethyl ester (5870-38-2)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

29182900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Diethyl 2,5-dihydroxyterephthalate is used as an intermediate for the synthesis of MOF material ligands.
[Materials Uses]

Unusual fluorescence from single benzene-based diethyl 2,5-dihydroxyterephthalate (DDT) was reported to investigate the origin of the strong fluorescence in solution and the solid[1].
[References]

[1] Cho, E., Choi, J., Jo, S., Park, D.-H., Hong, Y. K., Kim, D., & Lee, T. S. (2019). A Single-Benzene-Based Fluorophore: Optical Waveguiding in the Crystal Form. ChemPlusChem, 84 8, 1130–1134. https://doi.org/10.1002/cplu.201900405
Spectrum DetailBack Directory
[Spectrum Detail]

DIETHYL 2,5-DIHYDROXYTEREPHTHALATE(5870-38-2)MS
DIETHYL 2,5-DIHYDROXYTEREPHTHALATE(5870-38-2)1HNMR
DIETHYL 2,5-DIHYDROXYTEREPHTHALATE(5870-38-2)IR1
DIETHYL 2,5-DIHYDROXYTEREPHTHALATE(5870-38-2)IR2
DIETHYL 2,5-DIHYDROXYTEREPHTHALATE(5870-38-2)Raman
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