Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Diethyl 3,4-pyridinedicarboxylate |
EINECS | N/A |
CAS No. | 1678-52-0 | Density | 1.165 g/cm3 |
PSA | 65.49000 | LogP | 1.43500 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H13NO4 | Boiling Point | 294.1 °C at 760 mmHg |
Molecular Weight | 223.229 | Flash Point | 123.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3,4-Pyridinedicarboxylicacid, diethyl ester (7CI,8CI,9CI);Diethyl 3,4-pyridinedicarboxylate; |
Article Data | 6 |
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%.
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