(E)-ALPHA-(4-CHLOROPHENYL)CINNAMONITRILE

The Benzeneacetonitrile,4-chloro-a-(phenylmethylene)- is an organic compound with the formula C₁₅H₁₀ClN. The IUPAC name of this chemical is (Z)-2-(4-chlorophenyl)-3-phenylprop-2-enenitrile. With the CAS registry number 3695-93-0, it is also named as 2-(4-Chlorophenyl)-3-phenylacrylonitrile.

Physical properties about Benzeneacetonitrile,4-chloro-a-(phenylmethylene)- are: (1)ACD/LogP: 5.01; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 23.79 Å²; (6)Index of Refraction: 1.645; (7)Molar Refractivity: 71.73 cm³; (8)Molar Volume: 197.8 cm³; (9)Polarizability: 28.43×10^-24cm³; (10)Surface Tension: 50 dyne/cm; (11)Density: 1.211 g/cm³; (12)Flash Point: 150.7 °C; (13)Enthalpy of Vaporization: 61.57 kJ/mol; (14)Boiling Point: 369 °C at 760 mmHg; (15)Vapour Pressure: 1.23E-05 mmHg at 25°C.

Uses of Benzeneacetonitrile,4-chloro-a-(phenylmethylene)-: it can be used to produce 3-cyano-3-(4-chlorophenyl)-2,4,5-triphenylpyrrolidine at ambient temperature. It will need reagent benzyltriethylammonium chloride, aq. sodium hydroxide and solvent dimethylsulfoxide. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
It is risk of serious damage to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical may cause sensitisation by inhalation and skin contact. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(C(\C#N)=C/c1ccccc1)cc2
(2)InChI: InChI=1/C15H10ClN/c16-15-8-6-13(7-9-15)14(11-17)10-12-4-2-1-3-5-12/h1-10H/b14-10-
(3)InChIKey: JJGLLZWUWIKTAG-UVTDQMKNBQ
(4)Std. InChI: InChI=1S/C15H10ClN/c16-15-8-6-13(7-9-15)14(11-17)10-12-4-2-1-3-5-12/h1-10H/b14-10-
(5)Std. InChIKey: JJGLLZWUWIKTAG-UVTDQMKNSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	unreported	800mg/kg (800mg/kg)		Biochemical Pharmacology. Vol. 14, Pg. 1325, 1965.