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| CAS No.: | 66148-15-0 |
|---|---|
| Name: | NICOTINIC-D4 ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6HD4NO2 |
| Molecular Weight: | 127.079 |
| Synonyms: | 3-Pyridinecarboxylic acid; |
| Density: | 1.335 g/cm3 |
| Melting Point: | 236-239 °C |
| Boiling Point: | 292.5 °C at 760 mmHg |
| Flash Point: | 130.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 50.19000 |
| LogP: | 0.77980 |
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- Total:12 Page 1 of 1 1
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Specification
The 3-Pyridine-2,4,5,6-d4-carboxylicacid, with the CAS registry number 66148-15-0, is also known as 3-Pyridinecarboxylic acid. This chemical's molecular formula is C6HD4NO2 and molecular weight is 127.134. What's more, its systematic name is called 2,4,5,6-Tetradeuteriopyridine-3-carboxylic acid.
Physical properties about 3-Pyridine-2,4,5,6-d4-carboxylicacid are: (1)ACD/LogP: 0.15; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 50.19 Å2; (7)Index of Refraction: 1.57; (8)Molar Refractivity: 31.27 cm3; (9)Molar Volume: 95.1 cm3; (10)olarizability: 12.39×10-24 cm3; (11)Surface Tension: 58.7 dyne/cm; (12)Density: 1.335 g/cm3; (13)Flash Point: 130.7 °C; (14)Enthalpy of Vaporization: 56.18 kJ/mol; (15)Boiling Point: 292.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000836 mmHg at 25 °C; (17)Melting Point: 236-239 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c1c(c([2H])nc([2H])c1[2H])C(O)=O
(2) InChI: InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i1D,2D,3D,4D
(3) InChIKey: PVNIIMVLHYAWGP-RHQRLBAQEH