Anisole

The Anisole with CAS registry number of 100-66-3 is also known as Methoxybenzene. The IUPAC name and product name are the same. It belongs to product categories of Benzene derivatives; Anisole; Other Reagents. Its EINECS registry number is 202-876-1. In addition, the formula is C₇H₈O and the molecular weight is 108.14. This chemical is a clear straw colored liquid and should be stored in a ventilated and dry place.

Physical properties about Anisole are: (1)ACD/LogP: 2.17; (2)ACD/LogD (pH 5.5): 2.17; (3)ACD/LogD (pH 7.4): 2.17; (4)ACD/BCF (pH 5.5): 26.263; (5)ACD/BCF (pH 7.4): 26.263; (6)ACD/KOC (pH 5.5): 361.066; (7)ACD/KOC (pH 7.4): 361.066; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.492; (11)Molar Refractivity: 32.931 cm³; (12)Molar Volume: 113.436 cm³; (13)Surface Tension: 29.313 dyne/cm; (14)Density: 0.953 g/cm³; (15)Flash Point: 44.454 °C; (16)Enthalpy of Vaporization: 38.97 kJ/mol; (17)Boiling Point: 153.599 °C at 760 mmHg; (18)Vapour Pressure: 4.242 mmHg at 25 °C.

Preparation of Anisole: it is prepared by reaction of sodium phenoxide, a methyl bromide and related methylating reagents. What's more, the reaction belongs to the Williamson ether synthesis.

C6H5O^-Na⁺+CH₃Br→CH₃OC₆H₅+NaBr

Uses of Anisole: it is used to produce 2-methoxy-aniline. The reaction occurs with reagent n-BuLi the yield is about 35%. Besides, it is a precursor to perfumes, insect pheromones, and pharmaceuticals.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to skin, harmful by inhalation and flammable. During using it, wear suitable gloves and eye/face protection. Avoid contact with skin and eyes. Besides, keep away from sources of ignition. 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: COC1=CC=CC=C1
2. InChI: InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
3. InChIKey: RDOXTESZEPMUJZ-UHFFFAOYSA-N