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| CAS No.: | 1752-96-1 |
|---|---|
| Name: | NICOTINANILIDE |
| Article Data: | 72 |
| Molecular Structure: | |
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| Formula: | C12H10N2O |
| Molecular Weight: | 198.224 |
| Synonyms: | Nicotinanilide(6CI,7CI,8CI);3-Phenylaminocarbonylpyridine;3-Pyridylcarboxanilide;N-Phenyl-3-pyridinecarboxamide;N-Phenylnicotinamide;NSC 108206; |
| EINECS: | 217-138-4 |
| Density: | 1.227 g/cm3 |
| Melting Point: | 114-118 °C(lit.) |
| Boiling Point: | 265.8 °C at 760 mmHg |
| Flash Point: | 114.5 °C |
| Solubility: | 160 mg/L 25 °C |
| Hazard Symbols: |
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 41.99000 |
| LogP: | 2.40690 |
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Specification
The 3-Pyridinecarboxamide,N-phenyl-, with the CAS registry number 1752-96-1, is also named as N-phenylpyridine-3-carboxamide. Its molecular formula is C12H10N2O and its molecular weight is 198.22. Additionally, its product category is Heterocyclic Compounds.
Other characteristics of the 3-Pyridinecarboxamide,N-phenyl- can be summarised as followings: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.09; (6)ACD/BCF (pH 7.4): 12.16; (7)ACD/KOC (pH 5.5): 206.96; (8)ACD/KOC (pH 7.4): 208.01; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 58.91 cm3; (15)Molar Volume: 161.5 cm3; (16)Polarizability: 23.35×10-24cm3; (17)Surface Tension: 55.5 dyne/cm; (18)Density: 1.227 g/cm3; (19)Flash Point: 114.5 °C; (20)Enthalpy of Vaporization: 50.37 kJ/mol; (21)Boiling Point: 265.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00898 mmHg at 25°C.
Production method of the 3-Pyridinecarboxamide,N-phenyl-: It could be obtained by the reactants of nicotinoyl azide and aniline. This reaction needs the reagent of ethanol.
Uses of the 3-Pyridinecarboxamide,N-phenyl-: It could react with iodomethane to obtain the 1-methyl-3-phenylcarbamoyl-pyridinium; iodide. This reaction needs the solvent of methanol. The yield is 91 %. In addition, this reaction should be taken for 6 hours at the temperature of 60 °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. You should wear suitable protective clothing if you use it. In case of contacting 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(Nc1ccccc1)c2cccnc2
2.InChI: InChI=1/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15)
3.InChIKey: NYQXIOZBHWFCBU-UHFFFAOYAM