2-Fluoro-4-nitroanisole

The 2-Fluoro-4-nitroanisole, with the CAS registry number 455-93-6, is also known as Anisole,2-fluoro-4-nitro-. It belongs to the product categories of Amines; Blocks; Aromatic Halides (substituted); Anisole Series; Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds; Nitro Compounds; Benzenes; Nitrogen Compounds; Organic Building Blocks. This chemical's molecular formula is C₇H₆FNO₃ and molecular weight is 171.13. What's more, its systematic name is 2-Fluoro-1-methoxy-4-nitrobenzene. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of 2-Fluoro-4-nitroanisole are: (1)ACD/LogP: 2.4; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.40; (4)ACD/LogD (pH 7.4): 2.40; (5)ACD/BCF (pH 5.5): 39.29; (6)ACD/BCF (pH 7.4): 39.29; (7)ACD/KOC (pH 5.5): 481.75; (8)ACD/KOC (pH 7.4): 481.75; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 39.471 cm³; (15)Molar Volume: 129.487 cm³; (16)Polarizability: 15.647×10^-24cm³; (17)Surface Tension: 40.45 dyne/cm; (18)Density: 1.322 g/cm³; (19)Flash Point: 121.427 °C; (20)Enthalpy of Vaporization: 49.498 kJ/mol; (21)Boiling Point: 277.167 °C at 760 mmHg; (22)Vapour Pressure: 0.008 mmHg at 25°C.

Preparation of 2-Fluoro-4-nitroanisole: this chemical can be prepared by 1-fluoro-2-methoxy-benzene at the temperature of 20 °C. This reaction will need reagents aq. H₂SO₄, NaNO₂, HNO₃ with the reaction time of 3 hours. The yield is about 66%.

Uses of 2-Fluoro-4-nitroanisole: it can be used to produce N-methyl-2-fluoro-4-nitroaniline at the temperature of 90 - 95 °C. It will need reagent sodium hydroxide and solvents methanol, H₂O with the reaction time of 48 hours. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
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. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1OC)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C7H6FNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3
(3)Std. InChIKey: XGMVTXUXZUPGGY-UHFFFAOYSA-N