4-Chloro-3-methylanisole

The 4-Chloro-3-methylanisole, with CAS registry number 13334-71-9, belongs to the following product categories: (1)Anisole; (2)Anisoles, Alkyloxy Compounds & Phenylacetates; (3)Chlorine Compounds. It has the systematic name of 1-chloro-4-methoxy-2-methylbenzene. This chemical is a kind of clear colourless liquid. And the chemical formula of this chemical is C₈H₉ClO.

Physical properties of 4-Chloro-3-methylanisole: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 183.17; (6)ACD/BCF (pH 7.4): 183.17; (7)ACD/KOC (pH 5.5): 1449.98; (8)ACD/KOC (pH 7.4): 1449.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 42.65 cm³; (15)Molar Volume: 141.6 cm³; (16)Polarizability: 16.9×10^-24cm³; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 1.105 g/cm³; (19)Flash Point: 87.9 °C; (20)Enthalpy of Vaporization: 43.02 kJ/mol; (21)Boiling Point: 212.2 °C at 760 mmHg; (22)Vapour Pressure: 0.255 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-methoxy-3-methyl-benzene. This reaction will need reagent N-chloropiperidine and solvent trifluoroacetic acid.

Uses of 4-Chloro-3-methylanisole: it can be used to produce 3-bromomethyl-4-chloro-anisole. This reaction will need reagents NBS, (PhCO)₂O₂.

When you are using this chemical, please be cautious about it as the following:
The 4-Chloro-3-methylanisole irritates to eyes, respiratory system and skin. When use this chemical, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(OC)cc1C
(2)InChI: InChI=1/C8H9ClO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3
(3)InChIKey: SDGMUBWPXBSKCT-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H9ClO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3
(5)Std. InChIKey: SDGMUBWPXBSKCT-UHFFFAOYSA-N