4-Fluoro-2-nitrotoluene

The 2-Nitro-4-fluorotoluene with CAS registry number of 446-10-6 is also known as Benzene, 4-fluoro-1-methyl-2-nitro-. The IUPAC name is 4-Fluoro-1-methyl-2-nitrobenzene. It belongs to product categories of Fluorin-contained Toluene Series; Fluorobenzene; Aromatic Hydrocarbons (substituted) & Derivatives; Halogen Toluene; Miscellaneous; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks; Fluorinated benzene series. Its EINECS registry number is 207-161-8. In addition, the formula is C₇H₆FNO₂ and the molecular weight is 155.13. This chemical is a colorless to light yellow liquid and should be stored in sealed containers in cool, dry place and away from oxidizing agents.

Physical properties about 2-Nitro-4-fluorotoluene are: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): 2.36; (3)ACD/LogD (pH 7.4): 2.36; (4)ACD/BCF (pH 5.5): 36.61; (5)ACD/BCF (pH 7.4): 36.61; (6)ACD/KOC (pH 5.5): 458.02; (7)ACD/KOC (pH 7.4): 458.02; (8)#H bond acceptors: 3; (9)Index of Refraction: 1.53; (10)Molar Refractivity: 37.61 cm³; (11)Molar Volume: 121.7 cm³; (12)Surface Tension: 40.6 dyne/cm; (13)Density: 1.274 g/cm³; (14)Flash Point: 98.9 °C; (15)Enthalpy of Vaporization: 43.22 kJ/mol; (16)Boiling Point: 214.3 °C at 760 mmHg; (17)Vapour Pressure: 0.23 mmHg at 25 °C.

Preparation of 2-Nitro-4-fluorotoluene: it is prepared by reaction of C₇H₆N₃O₂(1+)*F₆P(1-). The reaction needs reagent BF₃*Et₂O at the temperature of 120-125 °C. The yield is about 69%.

Uses of 2-Nitro-4-fluorotoluene: it is used to produce 5-fluoro-2-methyl-aniline. The reaction occurs with reagents Me₃SiSNa, 1,3-dimethyl-2-imidazolidinone at the temperature of 185 °C for 24 hours. The yield is about 98%.

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 if swallowed. During using it, wear suitable gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=C(C=C(C=C1)F)[N+](=O)[O-]
2. InChI: InChI=1S/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
3. InChIKey: SKWTUNAAJNDEIK-UHFFFAOYSA-N