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Propanedinitrile,2-(2-phenylhydrazinylidene)-

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Name

Propanedinitrile,2-(2-phenylhydrazinylidene)-

EINECS N/A
CAS No. 306-18-3 Density 1.12 g/cm3
PSA 71.97000 LogP 1.57466
Solubility N/A Melting Point 131.0 to 135.0 °C
Formula C9H6N4 Boiling Point 289.7 °C at 760 mmHg
Molecular Weight 170.173 Flash Point 129 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 306-18-3 (carbonyl cyanide phenylhydrazone) Hazard Symbols N/A
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;

Article Data 23

Propanedinitrile,2-(2-phenylhydrazinylidene)- 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%.

Propanedinitrile,2-(2-phenylhydrazinylidene)- can be prepared by dicyano-acetic acid methyl ester and phenyldiazonium chloride

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 %.

Propanedinitrile,2-(2-phenylhydrazinylidene)- can be used to produce cyano-phenylhydrazono-acetic acid amide

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

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