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CAS No.: | 881-86-7 |
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Name: | DIMETHYL PYRIDINE-2,5-DICARBOXYLATE |
Article Data: | 43 |
Molecular Structure: | |
Formula: | C9H9NO4 |
Molecular Weight: | 195.175 |
Synonyms: | 2,5-Pyridinedicarboxylicacid, dimethyl ester (6CI,7CI,8CI,9CI);2,5-Bis(methoxycarbonyl)pyridine;2,5-Dicarbomethoxypyridine;Dimethyl 2,5-pyridinedicarboxylate;Dimethylisocinchomeronate;Isocinchomeronic acid dimethyl ester;NSC 35758; |
EINECS: | -0 |
Density: | 1.231 g/cm3 |
Melting Point: | 213-217 °C(lit.) |
Boiling Point: | 302.9 °C at 760 mmHg |
Flash Point: | 137 °C |
Solubility: | Soluble in Dichloromethane and Ethyl Acetate. Insoluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 65.49000 |
LogP: | 0.65480 |
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The Dimethyl 2,5-pyridinedicarboxylate, with the CAS registry number 881-86-7, has the systematic name and IUPAC name of dimethyl pyridine-2,5-dicarboxylate. It belongs to the following product categories: Pyridine series; Esters; Pyridines; API intermediates. And the molecular formula of the chemical is C9H9NO4.
The characteristics of Dimethyl 2,5-pyridinedicarboxylate are as followings: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 13.1; (6)ACD/KOC (pH 7.4): 13.1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.34 Å2; (11)Index of Refraction: 1.515; (12)Molar Refractivity: 35.22 cm3; (13)Molar Volume: 116.7 cm3; (14)Polarizability: 13.96×10-24cm3; (15)Surface Tension: 46.7 dyne/cm; (16)Density: 1.2 g/cm3; (17)Flash Point: 102.8 °C; (18)Enthalpy of Vaporization: 48.34 kJ/mol; (19)Boiling Point: 246.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0273 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)c1ncc(C(=O)OC)cc1
(2)InChI: InChI=1/C9H9NO4/c1-13-8(11)6-3-4-7(10-5-6)9(12)14-2/h3-5H,1-2H3
(3)InChIKey: TUGSJNQAIMFEDY-UHFFFAOYAE