2-CHLORO-4-METHYLPHENOL

The 2-Chloro-4-methylphenol, with cas registry number 6640-27-3, belongs to the following product categories: (1)Phenol&Thiophenol&Mercaptan; (2)Chlorine Compounds; (3)Phenols. Its systematic name and its IUPAC name are the same, which is 2-chloro-4-methylphenol.

Physical properties about this chemical are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.48; (5)ACD/BCF (pH 5.5): 46.62; (6)ACD/BCF (pH 7.4): 44.83; (7)ACD/KOC (pH 5.5): 544.38; (8)ACD/KOC (pH 7.4): 523.55; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 37.85 cm³; (15)Molar Volume: 116 cm³; (16)Polarizability: 15×10^-24cm³; (17)Surface Tension: 42.1 dyne/cm; (18)Enthalpy of Vaporization: 44.94 kJ/mol; (19)Vapour Pressure: 0.298 mmHg at 25°C.

Preparation: this chemical can be prepared by trichloro-acetic acid 2-chloro-4-methyl-phenyl ester. This reaction will need reagent indium, NH₄Cl, water and solvent methanol. The reaction time is 1 hour. The yield is about 82%.

Uses of 2-chloro-4-methyl-phenol: it can be used to produce 2-chloro-4-methyl-6-nitro-phenol. This reaction will need reagent fuming nitric acid, 98percent H₂SO₄ and solvent CHCl₃. The reaction time is 1 hour.

When you are using this chemical, please be cautious about it as the following:
The 2-Chloro-4-methylphenol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides this, this chemical is harmful by inhalation.

You can still convert the following datas into molecular structure: 
(1)SMILES: Clc1cc(ccc1O)C
(2)InChI: InChI=1/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
(3)InChIKey: AQJFATAFTQCRGC-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
(5)Std. InChIKey: AQJFATAFTQCRGC-UHFFFAOYSA-N