4-Chloro-2-methylanisole

The Benzene,4-chloro-1-methoxy-2-methyl-, with the CAS registry number 3260-85-3, is also known as 4-Chloro-2-methylanisole. It belongs to the product categories of Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds. Its EINECS number is 221-860-5. This chemical's molecular formula is C₈H₉ClO and formula weight is 156.61. What's more, its IUPAC name is 4-chloro-1-methoxy-2-methylbenzene.

Physical properties of Benzene,4-chloro-1-methoxy-2-methyl- are: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 183.17; (5)ACD/KOC (pH 5.5): 1449.98; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 9.23 Å²; (10)Index of Refraction: 1.514; (11)Molar Refractivity: 42.65 cm³; (12)Molar Volume: 141.6 cm³; (13)Surface Tension: 32.2 dyne/cm; (14)Density: 1.105 g/cm³; (15)Flash Point: 84 °C; (16)Enthalpy of Vaporization: 42.34 kJ/mol; (17)Boiling Point: 205.2 °C at 760 mmHg; (18)Vapour Pressure: 0.363 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-methoxy-2-methyl-benzene at the temperature of 25°C. This reaction will need reagent NaClO₂, Mn(acac)₃, moist kaolin and solvent CH₂Cl₂ with the reaction time of 110 min. The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing. You should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)Cl)OC
(2)InChI: InChI=1S/C8H9ClO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
(3)InChIKey: VDYDAUQHTVCCBX-UHFFFAOYSA-N