3-CHLORO-4-METHYLPHENOL

The Phenol, 3-chloro-4-methyl-, with the CAS registry number of 615-62-3, is also known as 3-Chloro-p-cresol and p-Cresol, 3-chloro-. It belongs to the product categories of Aromatic Phenols; Phenol & Thiophenol & Mercaptan; Chlorine Compounds; Phenols. Its EINECS registry number is 210-439-1. This chemical's molecular formula is C₇H₇ClO and molecular weight is 142.58. What's more, its IUPAC name is 3-Chloro-4-methylphenol. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Phenol, 3-chloro-4-methyl- are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 87.67; (6)ACD/BCF (pH 7.4): 86.6; (7)ACD/KOC (pH 5.5): 855.61; (8)ACD/KOC (pH 7.4): 845.19; (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^-24 cm³; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.228 g/cm³; (19)Flash Point: 88.5 °C; (20)Enthalpy of Vaporization: 48.35 kJ/mol; (21)Boiling Point: 228 °C at 760 mmHg; (22)Vapour Pressure: 0.0499 mmHg at 25 °C; (23)Melting Point: 55 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 3-Chloro-4-methyl-anisole at heating. This reaction needs reagent aq. NaOH. The reaction time is 3 hours. The yield is about 95 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. The vapour of this chemical can not be breathed. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(O)ccc1C
(2) InChI: InChI=1/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
(3) InChIKey: VQZRLBWPEHFGCD-UHFFFAOYAO