4-(DIMETHYLAMINO)BENZONITRILE

The Benzonitrile,4-(dimethylamino)- is an organic compound with the molecular formula C₉H₁₀N₂. Its CAS registry number is 1197-19-9. The IUPAC name of this chemical is called 4-(Dimethylamino)benzonitrile. It belongs to the product categories of Aromatic Nitriles; C8 to C9; Cyanides/Nitriles; Nitrogen Compounds. Its EINECS registry number is 214-819-8. What's more, the molecular weight of this chemical is 146.19.

Physical properties about Benzonitrile,4-(dimethylamino)- are: (1)ACD/LogP: 2.20; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.86; (6)ACD/BCF (pH 7.4): 27.87; (7)ACD/KOC (pH 5.5): 376.68; (8)ACD/KOC (pH 7.4): 376.73; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.03 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 44.45 cm³; (15)Molar Volume: 139.3 cm³; (16)Polarizability: 17.62×10^-24 cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.04 g/cm³; (19)Flash Point: 145.4 °C; (20)Enthalpy of Vaporization: 56.03 kJ/mol; (21)Boiling Point: 318.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000353 mmHg at 25 °C.

Preparation of Benzonitrile,4-(dimethylamino)-: this chemical can be prepared by 4-dimethylamino-benzaldehyde oxime. This reaction needs reagent acetic anhydride and other condition of heating. The reaction equation is as followed:

Uses of Benzonitrile,4-(dimethylamino)-: it can be used to produce other chemicals. For example, it is used to produce 4-dimethylamino-benzylamine. The reaction occurs with reagent LiAlH₄ and other condition of heating for 1 hour. The solvent of this reaction is diethyl ether. The yield is 50 %. The reaction equation is as followed:

When you are dealing with this chemical, you should be very careful. This chemical is harmful if swallowed and may cause damage to health. It's irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. Besides, it may cause sensitisation by skin contact. What's more, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You also should wear suitable protective clothing and gloves. This chemical should be stored in a cool, dry and sealing place.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(N(C)C)cc1
(2) InChI: InChI=1/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
(3) InChIKey: JYMNQRQQBJIMCV-UHFFFAOYAB