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CAS No.: | 605-38-9 |
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Name: | 2,3-Pyridinedicarboxylic acid dimethyl ester |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C9H9NO4 |
Molecular Weight: | 195.175 |
Synonyms: | 2,3-Pyridinedicarboxylicacid, dimethyl ester (6CI,8CI,9CI);2,3-Bis(methoxycarbonyl)pyridine;Dimethyl2,3-pyridinedicarboxylate;Dimethyl quinolinate;NSC 17026;Quinolinic aciddimethyl ester; |
Density: | 1.231 g/cm3 |
Melting Point: | 56 °C |
Boiling Point: | 262.3 °C at 760 mmHg |
Flash Point: | 112.4 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 65.49000 |
LogP: | 0.65480 |
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The cas register number of 2,3-Pyridinedicarboxylic acid dimethyl ester is 605-38-9. It also can be called as Dimethyl 2,3-pyridinedicarboxylate and the IUPAC Name about this chemical is dimethyl pyridine-2,3-dicarboxylate.
Physical properties about 2,3-Pyridinedicarboxylic acid dimethyl ester are: (1)ACD/LogP: 0.12; (2)ACD/LogD (pH 5.5): 0.12; (3)ACD/LogD (pH 7.4): 0.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.81; (7)ACD/KOC (pH 7.4): 27.81; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 65.49Å2; (11)Index of Refraction: 1.516; (12)Molar Refractivity: 47.89 cm3; (13)Molar Volume: 158.4 cm3; (14)Polarizability: 18.98x10-24cm3; (15)Surface Tension: 45.3 dyne/cm; (16)Enthalpy of Vaporization: 50 kJ/mol; (17)Boiling Point: 262.3 °C at 760 mmHg; (18)Vapour Pressure: 0.011 mmHg at 25°C.
Preparation: this chemical can be prepared by pyridine-2,3-dicarboxylic acid and methanol. This reaction will need reagent hydrogen chloride. The yield is about 93%.
Uses of 2,3-Pyridinedicarboxylic acid dimethyl ester: it can be used to produce 6-hydroxy-pyridine-2,3-dicarboxylic acid dimethyl ester at temperature of 0 ℃. This reaction will need reagent 10percent F2 and solvent H2O, acetonitrile. The yield is about 56%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ncccc1C(=O)OC
(2)InChI: InChI=1/C9H9NO4/c1-13-8(11)6-4-3-5-10-7(6)9(12)14-2/h3-5H,1-2H3
(3)InChIKey: YLGIBCYHQZTFQL-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-10-7(6)9(12)14-2/h3-5H,1-2H3
(5)Std. InChIKey: YLGIBCYHQZTFQL-UHFFFAOYSA-N