2-Methyleneglutaronitrile

The Pentanedinitrile,2-methylene-, with CAS registry number 1572-52-7, belongs to the following product categories: (1)C6 to C7; (2)Cyanides/Nitriles; (3)Nitrogen Compounds. It has the systematic name of 2-methylidenepentanedinitrile. The main use of this chemical is for intermediate of organic synthesis.

Physical properties of Pentanedinitrile,2-methylene-: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.78; (8)ACD/KOC (pH 7.4): 28.78; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.58 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 29.24 cm³; (15)Molar Volume: 109.2 cm³; (16)Polarizability: 11.59×10^-24cm³; (17)Surface Tension: 38.8 dyne/cm; (18)Enthalpy of Vaporization: 51.65 kJ/mol; (19)Vapour Pressure: 0.00439 mmHg at 25°C.

Uses of Pentanedinitrile,2-methylene-: it can be used to produce 1-(3-Pyridyl)-2-chloro-2,4-dicyanobutane. This reaction will need reagents Isopentyl nitrite; Copper(I) chloride; conc. HCl and solvent various solvent(s). The reaction time is 30 min with reaction temperature of 55 - 65 ℃. The yield is about 43%.

When you are using this chemical, please be cautious about it as the following:
The Pentanedinitrile,2-methylene- is harmful by inhalation, in contact with skin and if swallowed. When use this chemical , wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C(=C)CCC#N
(2)InChI: InChI=1/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H2
(3)InChIKey: NGCJVMZXRCLPRQ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H2
(5)Std. InChIKey: NGCJVMZXRCLPRQ-UHFFFAOYSA-N