1-Naphthyl acetonitrile 98% supplier in China CAS NO.132-75-2

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1.Introduction of 1-Naphthyl acetonitrile

The 1-Naphthyl acetonitrile is an organic compound with the formula C12H9N, and its systematic name is the same with the product name. With the CAS registry number 132-75-2, it is also named as alpha-(1-naphthyl)acetonitrile. It belongs to the product categories of Intermediates of Dyes and Pigments; Aromatic Nitriles. Its EINECS number is 205-078-1. In addition, the molecular weight is 167.21. This chemical is used as an organic synthesis intermediate.

2.Physical properties of 1-Naphthyl acetonitrile

(1)ACD/LogP: 2.428; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.26; (6)ACD/BCF (pH 7.4): 41.26; (7)ACD/KOC (pH 5.5): 498.94; (8)ACD/KOC (pH 7.4): 498.94; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 ?2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 53.558 cm3; (15)Molar Volume: 149.75 cm3; (16)Polarizability: 21.232 10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.117 g/cm3; (19)Flash Point: 180.341 °C; (20)Enthalpy of Vaporization: 56.585 kJ/mol; (21)Boiling Point: 323.873 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

3.Preparation of 1-Naphthyl acetonitrile

 1-Naphthyl acetonitrile can be prepared by 2-hydroxyimino-3-naphthalen-1-yl-propionic acid at room temperature for 15 min and then at the temperature of 55 - 60 °C for 1 hour. This reaction will need reagent 1,1'-carbonyldiimidazole and solvent benzene. The yield is about 97%.

4.Uses of 1-Naphthyl acetonitrile

1-Naphthyl acetonitrile can be used to produce 1-Naphthylmalononitrile at the temperature of 5 °C. It will need reagent Lithium diisopropylamide (LDA) and solvent benzene with the reaction time of 1 hour. The yield is about 100%.

5.Safty information of 1-Naphthyl acetonitrile

This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection, and you must avoid contact with skin and eyes. 

6.You can still convert the following datas into molecular structure:

(1)SMILES: N#CCc2cccc1ccccc12
(2)Std. InChI: InChI=1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2
(3)Std. InChIKey: OQRMWUNUKVUHQO-UHFFFAOYSA-N