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| CAS No.: | 306-18-3 |
|---|---|
| Name: | carbonyl cyanide phenylhydrazone |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C9H6N4 |
| Molecular Weight: | 170.173 |
| Synonyms: | Mesoxalonitrile,phenylhydrazone (7CI,8CI);Propanedinitrile, (phenylhydrazono)- (9CI);(Phenylhydrazono)malononitrile;(Phenylhydrazono)propanedinitrile;2-Propanone-1,3-dinitrile phenylhydrazone;Carbonylcyanide phenylhydrazone;NSC29560;Oxomalononitrile phenylhydrazone;Phenylhydrazonomalonic acid dinitrile;Phenylhydrazonomesoxalonitrile; |
| Density: | 1.12 g/cm3 |
| Melting Point: | 131.0 to 135.0 °C |
| Boiling Point: | 289.7 °C at 760 mmHg |
| Flash Point: | 129 °C |
| PSA: | 71.97000 |
| LogP: | 1.57466 |
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- Total:28 Page 1 of 1 1
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Specification
The CAS registry number of Propanedinitrile,2-(2-phenylhydrazinylidene)- is 306-18-3. This chemical is also named as (Phenylhydrazono)malononitrile. In addition, its molecular formula is C9H6N4 and molecular weight is 170.1707. Its systematic name and IUPAC name are the same which is called 2-(phenylhydrazinylidene)propanedinitrile.
Physical properties about Propanedinitrile,2-(2-phenylhydrazinylidene)- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 28.98; (6)ACD/BCF (pH 7.4): 4.23; (7)ACD/KOC (pH 5.5): 378.35; (8)ACD/KOC (pH 7.4): 55.23; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 51.4 cm3; (14)Molar Volume: 151.8 cm3; (15)Surface Tension: 48.5 dyne/cm; (16)Density: 1.12 g/cm3; (17)Flash Point: 129 °C; (18)Enthalpy of Vaporization: 52.9 kJ/mol; (19)Boiling Point: 289.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00216 mmHg at 25°C.
Preparation: this chemical can be prepared by dicyano-acetic acid methyl ester and phenyldiazonium chloride. This reaction will need reagent sodium a and solvents ethanol, H2O. The reaction time is 1 hour with reaction temperature of 0 °C. The yield is about 32%.
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Uses of Propanedinitrile,2-(2-phenylhydrazinylidene)-: it can be used to produce cyano-phenylhydrazono-acetic acid amide by heating. It will need reagent AcOH and solvent H2O with reaction time of 2 hours. The yield is about 95 %.
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You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C(=N/Nc1ccccc1)C#N
(2)InChI: InChI=1/C9H6N4/c10-6-9(7-11)13-12-8-4-2-1-3-5-8/h1-5,12H
(3)InChIKey: MENUYOGJCXAFFU-UHFFFAOYAI