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| CAS No.: | 91396-88-2 |
|---|---|
| Name: | 4-Pyridinecarboxylicacid, 2-phenylhydrazide |
| Molecular Structure: | |
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| Formula: | C12H11N3O |
| Molecular Weight: | 213.239 |
| Synonyms: | Isonicotinic acid, 2-phenylhydrazide (7CI);NSC 14613;Isonicotinic acid N'-phenyl-hydrazide; |
| EINECS: | 804-702-5 |
| Density: | 1.252 g/cm3 |
| Melting Point: | 177-178℃ |
| Boiling Point: | 335.747 °C at 760 mmHg |
| Flash Point: | 156.855 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36 |
| Safety: | 26 |
| PSA: | 54.02000 |
| LogP: | 2.30240 |
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Specification
The N'-Phenylisonicotinohydrazide, with the CAS registry number 91396-88-2, is also known as Isonicotinic acid N'-phenyl-hydrazide. This chemical's molecular formula is C12H11N3O and molecular weight is 213.24. What's more, its systematic name is N'-Phenylisonicotinohydrazide.
Physical properties of N'-Phenylisonicotinohydrazide are: (1)ACD/LogP: 1.323; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.95; (6)ACD/BCF (pH 7.4): 5.96; (7)ACD/KOC (pH 5.5): 124.58; (8)ACD/KOC (pH 7.4): 124.89; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.02 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 62.515 cm3; (15)Molar Volume: 170.344 cm3; (16)Polarizability: 24.783×10-24cm3; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 1.252 g/cm3; (19)Flash Point: 156.855 °C; (20)Enthalpy of Vaporization: 57.883 kJ/mol; (21)Boiling Point: 335.747 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NNc1ccccc1)c2ccncc2
(2)Std. InChI: InChI=1S/C12H11N3O/c16-12(10-6-8-13-9-7-10)15-14-11-4-2-1-3-5-11/h1-9,14H,(H,15,16)
(3)Std. InChIKey: HUDWXDLBWRHCKO-UHFFFAOYSA-N