Benzeneacetonitrile,2-methyl-3-nitro- (23876-14-4)

The 2-Methyl-3-nitrophenylacetonitrile with the cas number 23876-14-4, is also called Benzeneacetonitrile,2-methyl-3-nitro-. The systematic name is (2-Methyl-3-nitrophenyl)acetonitrile. Its molecular formula is C₉H₈N₂O₂. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 69.61 Å²; (5)Index of Refraction: 1.569; (6)Molar Refractivity: 47.086 cm³; (7)Molar Volume: 143.751 cm³; (8)Polarizability: 18.666×10^-24cm³; (9)Surface Tension: 51.609 dyne/cm; (10)Enthalpy of Vaporization: 58.288 kJ/mol; (11)Vapour Pressure: 0 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of hydrocyanic acid; potassium salt and a-chloro-2-methyl-3-nitrotoluene.

This reaction needs solvent ethanol and H₂O. The yield is 99%.

Uses: This chemical can prepare (2-methyl-3-nitro-phenyl)-acetic acid.

This reaction needs reagent H₂SO₄.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(cccc1CC#N)N(=O)=O
(2)InChI: InChI=1/C9H8N2O2/c1-7-8(5-6-10)3-2-4-9(7)11(12)13/h2-4H,5H2,1H3