CAS No.1678-52-0,DIETHYL 3 4-PYRIDINEDICARBOXYLATE 97 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1678-52-0
Name:	DIETHYL 3 4-PYRIDINEDICARBOXYLATE 97
Article Data:	6

Formula:	C₁₁H₁₃NO₄
Molecular Weight:	223.229
Synonyms:	3,4-Pyridinedicarboxylicacid, diethyl ester (7CI,8CI,9CI);Diethyl 3,4-pyridinedicarboxylate;
Density:	1.165 g/cm³
Boiling Point:	294.1 °C at 760 mmHg
Flash Point:	123.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	65.49000
LogP:	1.43500

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Specification

The Diethyl 3,4-pyridinedicarboxylate, with the CAS registry number 1678-52-0, is also called pyridine-3,4-dicarboxylic acid diethyl ester. It should be sealed and stored in a cool and dry place. And the molecular formula of this chemical is C₁₁H₁₃NO₄.

The physical properties of Diethyl 3,4-pyridinedicarboxylate are as followings: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 65.49 Å²; (7)Index of Refraction: 1.508; (8)Molar Refractivity: 57.15 cm³; (9)Molar Volume: 191.4 cm³; (10)Polarizability: 22.65×10^-24cm³; (11)Surface Tension: 43.1 dyne/cm; (12)Density: 1.165 g/cm³; (13)Flash Point: 123.4 °C; (14)Enthalpy of Vaporization: 53.37 kJ/mol; (15)Boiling Point: 294.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00166 mmHg at 25°C.

Uses of Diethyl 3,4-pyridinedicarboxylate: It can be used to produce 1-oxy-pyridine-3,4-dicarboxylic acid diethyl ester. The reaction time is 0.5 hours with temperature of 0°C, and the yield is about 98%.

Diethyl 3,4-pyridinedicarboxylate can be used to produce 1-oxy-pyridine-3,4-dicarboxylic acid diethyl ester

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1c(C(=O)OCC)ccnc1
(2)InChI: InChI=1/C11H13NO4/c1-3-15-10(13)8-5-6-12-7-9(8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
(3)InChIKey: SIOSRDUNOOIMCE-UHFFFAOYAQ