2-CHLORO-4,5-DIMETHYLPHENOL

The Phenol,2-chloro-4,5-dimethyl-, with the CAS registry number of 1124-04-5, is also known as 3,4-Dimethyl-6-chlorophenol. Its EINECS registry number is 214-386-5. This chemical's molecular formula is C₈H₉ClO and molecular weight is 156.61. What's more, its IUPAC name is 2-Chloro-4,5-dimethylphenol. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the Phenol,2-chloro-4,5-dimethyl- are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.95; (5)ACD/BCF (pH 5.5): 104.3; (6)ACD/BCF (pH 7.4): 101.29; (7)ACD/KOC (pH 5.5): 968.81; (8)ACD/KOC (pH 7.4): 940.9; (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: 1.558; (14)Molar Refractivity: 42.67 cm³; (15)Molar Volume: 132.3 cm³; (16)Surface Tension: 40.2 dyne/cm; (17)Density: 1.183 g/cm³; (18)Flash Point: 97.1 °C; (19)Enthalpy of Vaporization: 49.3 kJ/mol; (20)Boiling Point: 237 °C at 760 mmHg; (21)Vapour Pressure: 0.03 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-Allyloxy-2-chloro-4,5-dimethyl-benzene. This reaction needs reagent K₂CO₃. Meanwhile, it needs solvent Acetone. The yield is about 64 %.

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. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection. 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) SMILES: Clc1cc(c(cc1O)C)C
(2) InChI: InChI=1/C8H9ClO/c1-5-3-7(9)8(10)4-6(5)2/h3-4,10H,1-2H3
(3) InChIKey: PSOJLBXHRBFLLQ-UHFFFAOYAY