2-CHLORO-3-HYDROXYBENZOTRIFLUORIDE

The Phenol,2-chloro-3-(trifluoromethyl)-, with CAS registry number 138377-34-1, belongs to the following product categories: (1)Phenol & Thiophenol & Mercaptan; (2)Organic Building Blocks; (3)Oxygen Compounds; (4)Phenols. It has the systematic name of 2-chloro-3-(trifluoromethyl)phenol. The main use of this chemical is for the intermediate of organic synthesis. It is widely used in pharmaceutical intermediates and organic solution.

Physical properties of Phenol,2-chloro-3-(trifluoromethyl)-: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 344.19; (6)ACD/BCF (pH 7.4): 191.86; (7)ACD/KOC (pH 5.5): 2270.87; (8)ACD/KOC (pH 7.4): 1265.84; (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: 1.482; (14)Molar Refractivity: 38 cm³; (15)Molar Volume: 133.3 cm³; (16)Polarizability: 15.06×10^-24cm³; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 1.474 g/cm³; (19)Flash Point: 79.6 °C; (20)Enthalpy of Vaporization: 46.24 kJ/mol; (21)Boiling Point: 208 °C at 760 mmHg; (22)Vapour Pressure: 0.152 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Phenol,2-chloro-3-(trifluoromethyl)- 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.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(cccc1O)C(F)(F)F
(2)InChI: InChI=1/C7H4ClF3O/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3,12H
(3)InChIKey: BGXZMBZFGAIBDH-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H4ClF3O/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3,12H
(5)Std. InChIKey: BGXZMBZFGAIBDH-UHFFFAOYSA-N