5-Fluoro-2-nitrotoluene

The 5-Fluoro-2-nitrotoluene with CAS registry number of 446-33-3 is also known as 1-Fluoro-3-methyl-4-nitrobenzene. The IUPAC name is 4-Fluoro-2-methyl-1-nitrobenzene. It belongs to product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Halogen Toluene; Miscellaneous; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks; Fluorinated benzene series. Its EINECS registry number is 207-164-4. 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 sealed in cool and dry place away from oxidizing agents.

Physical properties about 5-Fluoro-2-nitrotoluene are: (1)ACD/LogP: 2.26; (2)ACD/LogD (pH 5.5): 2.26; (3)ACD/LogD (pH 7.4): 2.26; (4)ACD/BCF (pH 5.5): 30.74; (5)ACD/BCF (pH 7.4): 30.74; (6)ACD/KOC (pH 5.5): 404.09; (7)ACD/KOC (pH 7.4): 404.09; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.53; (11)Molar Refractivity: 37.61 cm³; (12)Molar Volume: 121.7 cm³; (13)Surface Tension: 40.6 dyne/cm; (14)Density: 1.274 g/cm³; (15)Flash Point: 87.8 °C; (16)Enthalpy of Vaporization: 44.52 kJ/mol; (17)Boiling Point: 227.5 °C at 760 mmHg; (18)Vapour Pressure: 0.116 mmHg at 25 °C.

Preparation of 5-Fluoro-2-nitrotoluene: it is prepared by reaction of 2-(5-fluoro-2-nitro-phenyl)-malonic acid diethyl ester. The reaction needs reagent MgCl₂*6H₂O and solvent N,N-dimethyl-acetamide at the temperature of 140-150 °C for 20 hours. The yield is about 73%.

Uses of 5-Fluoro-2-nitrotoluene: it is used to produce 4-fluoro-2-methyl-aniline. The reaction occurs with reagents Fe, HCl and solvent H₂O with other condition of heating for 2 hours. The yield is about 97%.

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 and 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=CC(=C1)F)[N+](=O)[O-]
2. InChI: InChI=1S/C7H6FNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
3. InChIKey: JHFOWEGCZWLHNW-UHFFFAOYSA-N