4-Chloro-3-fluorobenzonitrile

The 4-Chloro-3-fluorobenzonitrile with CAS registry number of 110888-15-8 is also known as Benzonitrile, 4-chloro-3-fluoro-. The IUPAC name and product name are the same. It belongs to product categories of Aromatic Nitriles; Nitrile; Chlorine Compounds; Fluorine Compounds; Nitriles. In addition, the formula is C₇H₃ClFN and the molecular weight is 155.56. This chemical is a solid insoluble in water but soluble in benzene, toluene and it should be sealed in cool, dry room away from oxidants. What's more, it can be prepared by reaction of 3,4-dichlorobenzonitrile with potassium chloride.

Physical properties about potassium chloride are: (1)ACD/LogP: 2.12; (2)ACD/LogD (pH 5.5): 2.12; (3)ACD/LogD (pH 7.4): 2.12; (4)ACD/BCF (pH 5.5): 23.93; (5)ACD/BCF (pH 7.4): 23.93; (6)ACD/KOC (pH 5.5): 337.8; (7)ACD/KOC (pH 7.4): 337.8; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.536; (10)Molar Refractivity: 36.26 cm³; (11)Molar Volume: 116.1 cm³; (12)Surface Tension: 43 dyne/cm; (13)Density: 1.33 g/cm³; (14)Flash Point: 83.2 °C; (15)Enthalpy of Vaporization: 45.03 kJ/mol; (16)Boiling Point: 214 °C at 760 mmHg; (17)Vapour Pressure: 0.159 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C=C1C#N)F)Cl
2. InChI: InChI=1S/C7H3ClFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
3. InChIKey: GWZQVECNESCSKR-UHFFFAOYSA-N