This chemical is called Benzonitrile, 2-iodo-, and its systematic name is 2-iodobenzonitrile. With the molecular formula of C₇H₄IN, its molecular weight is 229.02. The CAS registry number of this chemical is 4387-36-4. Additionally, its product categories are Aromatic Nitriles; Iodine Compounds; C6 to C7; Nitrogen Compounds.

Other characteristics of the Benzonitrile, 2-iodo- can be summarised as followings: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 45.7; (6)ACD/BCF (pH 7.4): 45.7; (7)ACD/KOC (pH 5.5): 536.72; (8)ACD/KOC (pH 7.4): 536.72; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 44.24 cm³; (15)Molar Volume: 119.7 cm³; (16)Polarizability: 17.53×10^-24cm³; (17)Surface Tension: 55.6 dyne/cm; (18)Density: 1.91 g/cm³; (19)Flash Point: 125 °C; (20)Enthalpy of Vaporization: 52.2 kJ/mol; (21)Boiling Point: 283.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00323 mmHg at 25°C.

Production method of this chemical: The Benzonitrile, 2-iodo- could be obtained by the reactant of 2-iodo-benzamide. This reaction needs the reagent of P₂O₅.

Uses of this chemical: The Benzonitrile, 2-iodo- could react with benzenethiol, and obtain the 2-phenylthiobenzonitrile. This reaction needs the reagent of potassium carbonate, zinc powder, and the solvent of dimethylformamide, various solvent(s). The yield is 97 %. In addition, this reaction should be taken for 5 hours at the temperature of 40 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1ccccc1I
2.InChI: InChI=1/C7H4IN/c8-7-4-2-1-3-6(7)5-9/h1-4H
3.InChIKey: JDDAFHUEOVUDFJ-UHFFFAOYAS