3-Chloro-4-hydroxybenzotrifluoride

The systematic name of 3-Chloro-4-hydroxybenzotrifluoride is 2-chloro-4-(trifluoromethyl)phenol. With the CAS registry number 35852-58-5, it is also named as Phenol,2-chloro-4-(trifluoromethyl)-. The product's category is Phenol & Thiophenol & Mercaptan. Besides, it should be stored in a sealed, cool, dry and ventilated place. In addition, its molecular formula is C₇H₄ClF₃O and molecular weight is 196.55.

The other characteristics of 3-Chloro-4-hydroxybenzotrifluoride can be summarized as: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.56; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 298.98; (6)ACD/BCF (pH 7.4): 101.36; (7)ACD/KOC (pH 5.5): 2044.37; (8)ACD/KOC (pH 7.4): 693.09; (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: 68 °C; (20)Enthalpy of Vaporization: 44.25 kJ/mol; (21)Boiling Point: 188.9 °C at 760 mmHg; (22)Vapour Pressure: 0.425 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc(ccc1O)C(F)(F)F
(2)InChI: InChI=1/C7H4ClF3O/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H
(3)InChIKey: YNWKEXMSQQUMEL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H4ClF3O/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H
(5)Std. InChIKey: YNWKEXMSQQUMEL-UHFFFAOYSA-N