2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLIC ACID

The 3,5-Pyridinedicarboxylicacid, 2,6-dimethyl- is an organic compound with the formula C₉H₉NO₄. The IUPAC name of this chemical is 2,6-Dimethylpyridine-3,5-dicarboxylic acid. The CAS registry number of this chemical is 2602-36-0. The categories of the product are Carboxylic Acid Monomers; Monomers and Polymer Science. Besides, it should be stored in a cool, sealed and dry place.

The physical properties of 3,5-Pyridinedicarboxylicacid, 2,6-dimethyl- are: (1)ACD/LogP: 0.58; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 65.49 Å²; (10)Index of Refraction: 1.597; (11)Molar Refractivity: 47.85 cm³; (12)Molar Volume: 140.2 cm³; (13)Polarizability: 18.97×10^-24 cm³; (14)Surface Tension: 66.7 dyne/cm; (15)Density: 1.391 g/cm³; (16)Flash Point: 215.7 °C; (17)Enthalpy of Vaporization: 72.63 kJ/mol; (18)Boiling Point: 433.1 °C at 760 mmHg; (19)Vapour Pressure: 2.86E-08 mmHg at 25 °C. 

Uses of 3,5-Pyridinedicarboxylicacid, 2,6-dimethyl-: it and N,N-Dimethyl-formamide can be used to produce 2,7-Dimethyl-1,8-dioxo-1,2,7,8-tetrahydro-2,7,10-triaza-anthracene-4,5-dicarbaldehyde at temperature of 80 - 85 °C. This reaction is a kind of Vilsmeier formylation. It will need reagent POCl₃ with reaction time of 12 hours. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing 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(O)c1cc(c(nc1C)C)C(=O)O
(2)InChI: InChI=1/C9H9NO4/c1-4-6(8(11)12)3-7(9(13)14)5(2)10-4/h3H,1-2H3,(H,11,12)(H,13,14)
(3)InChIKey: WQFXJSOUBPGBGW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H9NO4/c1-4-6(8(11)12)3-7(9(13)14)5(2)10-4/h3H,1-2H3,(H,11,12)(H,13,14)
(5)Std. InChIKey: WQFXJSOUBPGBGW-UHFFFAOYSA-N