Dimethyl 2,5-pyridinedicarboxylate supplier

Name
DIMETHYL PYRIDINE-2,5-DICARBOXYLATE
EINECS -0
CAS No. 881-86-7
Article Data43
CAS DataBase
Density 1.231 g/cm³
Solubility Soluble in Dichloromethane and Ethyl Acetate. Insoluble in water.
Melting Point 213-217 °C(lit.)
Formula C₉H₉NO₄
Boiling Point 302.9 °C at 760 mmHg
Molecular Weight 195.175
Flash Point 137 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 65.49000
LogP 0.65480

Dimethyl 2,5-pyridinedicarboxylate Specification

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

Product Name

DIMETHYL PYRIDINE-2,5-DICARBOXYLATE

Dimethyl 2,5-pyridinedicarboxylate Specification

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