Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Diethyl 4-chloropyridine-2,6-dicarboxylate |
EINECS | N/A |
CAS No. | 53389-01-8 | Density | 1.266 g/cm3 |
PSA | 65.49000 | LogP | 2.08840 |
Solubility | N/A | Melting Point |
91-93 °C |
Formula | C11H12ClNO4 | Boiling Point | 378.5 °C at 760 mmHg |
Molecular Weight | 257.674 | Flash Point | 182.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2,6-Pyridinedicarboxylicacid, 4-chloro-, diethyl ester (6CI,9CI);Diethyl 4-chloropyridine-2,6-dicarboxylate;NSC 166604; |
Article Data | 13 |
The 2,6-Pyridinedicarboxylicacid, 4-chloro-, 2,6-diethyl ester has the systematic name diethyl 4-chloropyridine-2,6-dicarboxylate. Its molecular formula is C11H12ClNO4 and its molecular weight is 257.67. With the CAS registry number 53389-01-8, its product categories are Pyridines; Esters.
Other characteristics of the 2,6-Pyridinedicarboxylicacid, 4-chloro-, 2,6-diethyl ester can be summarised as followings: (1)ACD/LogP: 2.19; (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: 1.522; (8)Molar Refractivity: 62.05 cm3; (9)Molar Volume: 203.4 cm3; (10)Polarizability: 24.59×10-24cm3; (11)Surface Tension: 44.9 dyne/cm; (12)Density: 1.266 g/cm3; (13)Flash Point: 182.7 °C; (14)Enthalpy of Vaporization: 62.64 kJ/mol; (15)Boiling Point: 378.5 °C at 760 mmHg; (16)Vapour Pressure: 6.26E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)c1cc(cc(n1)C(=O)OCC)Cl
2.InChI: InChI=1/C11H12ClNO4/c1-3-16-10(14)8-5-7(12)6-9(13-8)11(15)17-4-2/h5-6H,3-4H2,1-2H3
3.InChIKey: XQVRVZXJZVVBLW-UHFFFAOYAR