4-Fluoro-3-methylphenol

The Phenol,4-fluoro-3-methyl- with CAS registry number of 452-70-0 is also known as 3-Methyl-4-fluorophenol. The IUPAC name is 4-Fluoro-3-methylphenol. It belongs to product categories of Aromatic Phenols; Phenol&Thiophenol&Mercaptan; Fluorine Compounds; Phenols; Organic Building Blocks; Oxygen Compounds. In addition, the formula is C₇H₇FO and the molecular weight is 126.13. This chemical should be sealed in a ventilated and dry place away from oxidizing agents.

Physical properties about Phenol,4-fluoro-3-methyl- are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 29.16; (5)ACD/BCF (pH 7.4): 29.1; (6)ACD/KOC (pH 5.5): 389.18; (7)ACD/KOC (pH 7.4): 388.39; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.52; (12)Molar Refractivity: 32.95 cm³; (13)Molar Volume: 108.3 cm³; (14)Surface Tension: 36.9 dyne/cm; (15)Density: 1.164 g/cm³; (16)Flash Point: 96.7 °C; (17)Enthalpy of Vaporization: 46 kJ/mol; (18)Boiling Point: 205.8 °C at 760 mmHg; (19)Vapour Pressure: 0.172 mmHg at 25 °C.

Preparation of Phenol,4-fluoro-3-methyl-: it is prepared by reaction of 4-amino-3-methyl-phenol. The reaction needs reagents HF-pyridine, NaNO₂ at 0 °C for 20 minutes and then at 140 °C for 1 hour. The yield is about 92%.

Uses of Phenol,4-fluoro-3-methyl-: it is used to produce 4,4-difluoro-3-methyl-cyclohexa-2,5-dienone. The reaction occurs with reagents F-TEDA, BF₄ and solvent acetonitrile at the temperature of 70 °C for 18 hours. The yield is about 32%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=C(C=CC(=C1)O)F
2. InChI: InChI=1S/C7H7FO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
3. InChIKey: RVYGYYVGWSCWGY-UHFFFAOYSA-N