HOMOPHTHALONITRILE

The Benzeneacetonitrile,2-cyano-, with the CAS registry number 3759-28-2, is also known as 2-Cyanophenylacetonitrile. Its EINECS number is 223-167-3. This chemical's molecular formula is C₉H₆N₂ and molecular weight is 142.16. What's more, its IUPAC name is called 2-(cyanomethyl)benzonitrile. This chemical's classification code is Drug/Therapeutic Agent. 

Physical properties of Benzeneacetonitrile,2-cyano- are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 2.77; (6)ACD/BCF (pH 7.4): 2.77; (7)ACD/KOC (pH 5.5): 72.24; (8)ACD/KOC (pH 7.4): 72.24; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.58 Ų; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 40.51 cm³; (15)Molar Volume: 126.6 cm³; (16)Surface Tension: 52.4 dyne/cm; (17)Density: 1.12 g/cm³; (18)Flash Point: 140.7 °C; (19)Enthalpy of Vaporization: 53.34 kJ/mol; (20)Boiling Point: 293.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00169 mmHg at 25°C.

Uses of Benzeneacetonitrile,2-cyano-: it can be used to produce 2-(2-cyanophenyl)-3-(2-cyano-3-methoxyphenyl)propionitrile by heating. It will need reagent NaI, K₂CO₃ and solvent acetone with the reaction time 24 hours. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should take off immediately all contaminated clothing. After contact with skin, you need wash immediately with plenty of ... (to be specified by the manufacturer). You must wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC=C(C(=C1)CC#N)C#N
(2)InChI: InChI=1S/C9H6N2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5H2
(3)InChIKey: GKHSEDFDYXZGCG-UHFFFAOYSA-N
 
The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 500mg/kg (500mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 286, 1953.