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| CAS No.: | 64362-32-9 |
|---|---|
| Name: | 3-BENZOYL-2-PYRIDINECARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C13H9NO3 |
| Molecular Weight: | 227.219 |
| Synonyms: | Picolinicacid, 3-benzoyl- (6CI,7CI);2-Carboxy-3-benzoylpyridine;3-Benzoylpicolinicacid;3-Benzoylpyridine-2-carboxylic acid; |
| Density: | 1.311 g/cm3 |
| Melting Point: | 151-155 °C(lit.) |
| Boiling Point: | 467.1 °C at 760 mmHg |
| Flash Point: | 236.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 67.26000 |
| LogP: | 2.01080 |
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Specification
The 3-Benzoylpyridine-2-carboxylic acid with its cas register number is 64362-32-9. It also can be called as 2-Pyridinecarboxylicacid, 3-benzoyl and the Systematic name about this chemical is 3-benzoylpyridine-2-carboxylic acid. It belongs to the following product categories, such as Heterocyclic Compounds, C9 to C46, Heterocyclic Building Blocks, Pyridines and so on.
Physical properties about 3-Benzoylpyridine-2-carboxylic acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 56.26Å2; (9)Index of Refraction: 1.622; (10)Molar Refractivity: 61.06 cm3; (11)Molar Volume: 173.3 cm3; (12)Polarizability: 24.2x10-24cm3; (13)Surface Tension: 60.4 dyne/cm; (14)Enthalpy of Vaporization: 76.81 kJ/mol; (15)Vapour Pressure: 1.58E-09 mmHg at 25°C
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, suitable protective clothing. 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)c2ncccc2C(=O)c1ccccc1
(2)InChI: InChI=1/C13H9NO3/c15-12(9-5-2-1-3-6-9)10-7-4-8-14-11(10)13(16)17/h1-8H,(H,16,17)
(3)InChIKey: YERHKEWRHQIXFY-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C13H9NO3/c15-12(9-5-2-1-3-6-9)10-7-4-8-14-11(10)13(16)17/h1-8H,(H,16,17)
(5)Std. InChIKey: YERHKEWRHQIXFY-UHFFFAOYSA-N