Name: DIETHYL 3,4-DIHYDROXYFURAN-2,5-DICARBOXYLATE
SKU: 6270-57-1

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Basic Information

Molecular Structure:
CAS No.:	6270-57-1
Name:	DIETHYL 3,4-DIHYDROXYFURAN-2,5-DICARBOXYLATE

Formula:	C₁₀H₁₂O₇
Molecular Weight:	244.201
Synonyms:	2,5-Furandicarboxylicacid, 3,4-dihydroxy-, diethyl ester (6CI,9CI);Diethyl 3,4-dihydroxy-2,5-difuroate;NSC 35562;
Density:	1.372 g/cm³
Melting Point:	178-180 °C
Boiling Point:	391.2 °C at 760 mmHg
Flash Point:	190.4 °C
Hazard Symbols:	Xi
Safety:	24/25
PSA:	106.20000
LogP:	1.04420

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Specification

The 2, 5-Furandicarboxylicacid, 3, 4-dihydroxy-, 2, 5-diethyl ester, with the CAS registry number of 6270-57-1, is also known as Diethyl 3, 4-dihydroxyfuran-2, 5-dicarboxylate and NSC 35562. It belongs to the product category of Furan&Benzofuran. This chemical's molecular formula is C₁₀H₁₂O₇ and molecular weight is 244.2. What's more, its IUPAC name is (2Z, 5Z)-2, 5-Bis[ethoxy(hydroxy)methylidene]oxolane-3, 4-dione.

Physical properties about 2, 5-Furandicarboxylicacid, 3, 4-dihydroxy-, 2, 5-diethyl ester are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 113.37; (6)ACD/BCF (pH 7.4): 94.76; (7)ACD/KOC (pH 5.5): 1027.82; (8)ACD/KOC (pH 7.4): 859.06; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 106.2 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 55.12 cm³; (15)Molar Volume: 177.8 cm³; (16)Polarizability: 21.85×10^-24 cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.372 g/cm³; (19)Flash Point: 190.4 °C; (20)Enthalpy of Vaporization: 66.58 kJ/mol; (21)Boiling Point: 391.2 °C at 760 mmHg; (22)Melting Point: 178-180 °C; (23)Vapour Pressure: 1.11E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
During using it, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1c(oc(C(=O)OCC)c1O)C(=O)OCC
(2) InChI: InChI=1/C10H12O7/c1-3-15-9(13)7-5(11)6(12)8(17-7)10(14)16-4-2/h11-12H,3-4H2,1-2H3
(3) InChIKey: JGCMPUKYPRCPRE-UHFFFAOYAJ