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| CAS No.: | 7418-70-4 |
|---|---|
| Name: | 4-Chloropyridine-3-carboxamide |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C6H5ClN2O |
| Molecular Weight: | 156.5697 |
| Synonyms: | 4-Chloronicotinamide;NSC527178;4-Chloro-3-pyridinecarboxamide;Nicotinamide,4-chloro- (7CI); |
| Density: | 1.381 g/cm3 |
| Boiling Point: | 299.5 °C at 760 mmHg |
| Flash Point: | 134.9 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 55.98000 |
| LogP: | 1.53420 |
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- Total:27 Page 1 of 1 1
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Specification
This chemical is called 3-Pyridinecarboxamide,4-chloro-, and its IUPAC name is 4-chloropyridine-3-carboxamide. With the molecular formula of C6H5ClN2O, its molecular weight is 156.5697. The CAS registry number of this chemical is 7418-70-4. Additionally, its product category is Pyridines.
Other characteristics of the 3-Pyridinecarboxamide,4-chloro- can be summarised as followings: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 21.86; (6)ACD/KOC (pH 7.4): 21.87; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 33.2 Å2; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 38.16 cm3; (13)Molar Volume: 113.3 cm3; (14)Polarizability: 15.13×10-24cm3; (15)Surface Tension: 57.2 dyne/cm; (16)Density: 1.381 g/cm3; (17)Flash Point: 134.9 °C; (18)Enthalpy of Vaporization: 53.95 kJ/mol; (19)Boiling Point: 299.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00119 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccncc1C(=O)N
2.InChI: InChI=1/C6H5ClN2O/c7-5-1-2-9-3-4(5)6(8)10/h1-3H,(H2,8,10)
3.InChIKey: MJYMDZGWIIUMJV-UHFFFAOYAS