4,5-DIMETHOXY-2-FLUOROBENZONITRILE

The Benzonitrile, 2-fluoro-4, 5-dimethoxy-, with the CAS registry number of 119396-88-2, is also known as 2-Fluoro-4, 5-dimethoxybenzenecarbonitrile. It belongs to the product categories of Aromatic Nitriles; Anilines, Aromatic Amines and Nitro Compounds; Nitrile; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds; Nitriles. This chemical's molecular formula is C₉H₈FNO₂ and molecular weight is 181.16. What's more, its systematic name is called 2-Fluoro-4, 5-dimethoxybenzonitrile.

Physical properties about Benzonitrile, 2-fluoro-4, 5-dimethoxy- are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.83; (6)ACD/BCF (pH 7.4): 8.83; (7)ACD/KOC (pH 5.5): 165.46; (8)ACD/KOC (pH 7.4): 165.46; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.25 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 44.16 cm³; (15)Molar Volume: 149.7 cm³; (16)Surface Tension: 40.4 dyne/cm; (17)Density: 1.2 g/cm³; (18)Flash Point: 112.9 °C; (19)Enthalpy of Vaporization: 50.09 kJ/mol; (20)Boiling Point: 263.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0105 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical 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) SMILES: Fc1cc(OC)c(OC)cc1C#N
(2) InChI: InChI=1/C9H8FNO2/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-4H,1-2H3
(3) InChIKey: QZKGCLSVCWWARO-UHFFFAOYAB