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| CAS No.: | 7170-36-7 |
|---|---|
| Name: | 2,6-Pyridinedicarboxylic acid monomethyl ester |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H7NO4 |
| Molecular Weight: | 181.148 |
| Synonyms: | 6-[(Methyloxy)carbonyl]-2-pyridinecarboxylic acid;Monomethyl dipicolinate;6-Methoxcarbonylpicolinic acid;6-Carboxy-2-methoxycarbonylpyridine;6-Carbomethoxypyridine-2-carboxylic acid;6-Carbomethoxy-2-picolinic acid;6-(Methoxycarbonyl)pyridine-2-carboxylic acid;2,6-Pyridinedicarboxylic acid, monomethyl ester(8CI,9CI);2,6-Pyridinedicarboxylicacid, methyl ester (6CI,7CI);2,6-Pyridinedicarboxylicacid, 2-methyl ester; |
| EINECS: | -0 |
| Density: | 1.361 g/cm3 |
| Melting Point: | 144-146 ºC |
| Boiling Point: | 392.7 ºC at 760 mmHg |
| Flash Point: | 191.3 ºC |
| Hazard Symbols: |
 Xi
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| PSA: | 76.49000 |
| LogP: | 0.56640 |
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Specification
The 2,6-Pyridinedicarboxylic acid monomethyl ester, with the CAS registry number 7170-36-7, is also known as 6-(Methoxycarbonyl)-2-pyridinecarboxylic acid. It belongs to the product category of Pyridine. This chemical's molecular formula is C8H7NO4 and molecular weight is 181.15. What's more, both its IUPAC name and systematic name are the same which is called 6-Methoxycarbonylpyridine-2-carboxylic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2,6-Pyridinedicarboxylic acid monomethyl ester are: (1)ACD/LogP: -0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.28; (4)ACD/LogD (pH 7.4): -3.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 65.49 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 43.04 cm3; (15)Molar Volume: 133 cm3; (16)Surface Tension: 58.7 dyne/cm; (17)Density: 1.361 g/cm3; (18)Flash Point: 191.3 °C; (19)Enthalpy of Vaporization: 67.76 kJ/mol; (20)Boiling Point: 392.7 °C at 760 mmHg; (21) Vapour Pressure: 7.18E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1nc(C(=O)O)ccc1
(2) InChI: InChI=1S/C8H7NO4/c1-13-8(12)6-4-2-3-5(9-6)7(10)11/h2-4H,1H3,(H,10,11)
(3) InChIKey: VWIOMFMPIVMLIR-UHFFFAOYSA-N