4-Fluoro-3-nitrotoluene

The 4-Fluoro-3-nitrotoluene, with the CAS registry number 446-11-7, is also known as 3-Nitro-4-Fluorotoluene. It belongs to the product categories of Fluorin-Contained Toluene Series; Blocks; Fluoro Compounds; Nitro Compounds; Aromatic Hydrocarbons (substituted) & Derivatives; Halogen Toluene; Fluorinated Benzene Series. This chemical's molecular formula is C₇H₆FNO₂ and molecular weight is 155.126443. Its IUPAC name is called 1-fluoro-4-methyl-2-nitrobenzene.

Physical properties of 4-Fluoro-3-nitrotoluene: (1)ACD/LogP: 2.15; (2)ACD/LogD (pH 5.5): 2.15; (3)ACD/LogD (pH 7.4): 2.15; (4)ACD/BCF (pH 5.5): 25.35; (5)ACD/BCF (pH 7.4): 25.35; (6)ACD/KOC (pH 5.5): 352.08; (7)ACD/KOC (pH 7.4): 352.08; (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: 98.7 °C; (16)Enthalpy of Vaporization: 45.72 kJ/mol; (17)Boiling Point: 239.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0612 mmHg at 25°C.

Uses of 4-Fluoro-3-nitrotoluene: it can be used to produce 4-Fluoro-3-nitrobenzyl bromide. This reaction will need reagent NBS, (PhCOO)₂O and solvent CCl₄. The yield is about 55%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In addition, 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. Whenever you will contact it, please wear suitable protective clothing.

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