4-FLUORO-N-METHYLANILINE

The Benzenamine, 4-fluoro-N-methyl-, with the CAS registry number of 459-59-6, is also known as 4-Fluoro-N-methylbenzenamine. It belongs to the product categories of Amines; C7; Nitrogen Compounds. Its EINECS registry number is 207-294-1. This chemical's molecular formula is C₇H₈FN and molecular weight is 125.14. What's more, its IUPAC name is 4-Fluoro-N-methylaniline. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with incompatible material, oxidant, acid, acid chloride, anhydride, ignition source.

Physical properties about Benzenamine, 4-fluoro-N-methyl- are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 17.51; (6)ACD/BCF (pH 7.4): 20.93; (7)ACD/KOC (pH 5.5): 256.54; (8)ACD/KOC (pH 7.4): 306.74; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 35.85 cm³; (15)Molar Volume: 113 cm³; (16)Surface Tension: 34 dyne/cm; (17)Density: 1.106 g/cm³; (18)Flash Point: 63.5 °C; (19)Enthalpy of Vaporization: 41.77 kJ/mol; (20)Boiling Point: 181.4 °C at 760 mmHg; (21)Vapour Pressure: 0.853 mmHg at 25 °C.

Preparation: this chemical is prepared by Formic acid-(4-fluoro-anilide). The reaction needs reagent LiAlH₄ and solvent Diethyl ether. The yield is about 78 %.

Uses: it is used to produce other chemicals. For example, it is used to produce N-Methyl-4-fluoroformanilide by heating. The reaction needs reagent conc. H₂SO₄. The yield is about 46 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to respiratory system and skin. In addition, this chemical is harmful if swallowed. And it is harmful to aquatic organisms. 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: Fc1ccc(NC)cc1
(2) InChI: InChI=1/C7H8FN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
(3) InChIKey: VLWRKVBQUANIGI-UHFFFAOYAV