3-Fluoro-4-methoxybenzonitrile

The CAS registry number of Benzonitrile,3-fluoro-4-methoxy- is 331-62-4. The IUPAC name is 3-fluoro-4-methoxybenzonitrile. It belongs to the classes of Blocks; Carboxes; FluoroCompounds; Aromatic Nitriles; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds; Nitriles; C₈ to C₉; Cyanides/Nitriles; Nitrogen Compounds. In addition, the molecular formula is C₈H₆FNO and the molecular weight is 151.14. What's more, it is a toxic chemical.

Physical properties about Benzonitrile,3-fluoro-4-methoxy- are: (1)ACD/LogP: 1.63 ; (2)ACD/LogD (pH 5.5): 1.63; (3)ACD/LogD (pH 7.4): 1.63; (4)ACD/BCF (pH 5.5): 10.24; (5)ACD/BCF (pH 7.4): 10.24; (6)ACD/KOC (pH 5.5): 184.01; (7)ACD/KOC (pH 7.4): 184.01; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 33.02 Å²; (11)Index of Refraction: 1.505; (12)Molar Refractivity: 37.79 cm³; (13)Molar Volume: 127.3 cm³; (14)Polarizability: 14.98 ×10^-24cm³; (15)Surface Tension: 39.3 dyne/cm; (16)Density: 1.18 g/cm³; (17)Flash Point: 107.6 °C; (18)Enthalpy of Vaporization: 49.18 kJ/mol; (19)Boiling Point: 254.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0173 mmHg at 25°C.

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. And 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. During using it, you can not breathe gas/fumes/vapour/spray and you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C#N)ccc1OC
(2)InChI: InChI=1/C8H6FNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
(3)InChIKey: FEEOVAOEPGQDTJ-UHFFFAOYAJ