2-CHLORO-3,6-DIFLUOROPHENOL 97

The Phenol,2-chloro-3,6-difluoro-, with the CAS registry number 261762-50-9, is also known as 2-Chloro-3,6-difluorophenol 97. It belongs to the product categories of Phenol&Thiophenol&Mercaptan; Organic Building Blocks; Oxygen Compounds; Phenols. This chemical's molecular formula is C₆H₃ClF₂O and molecular weight is 164.5377. What's more, its IUPAC name is 2-Chloro-3,6-difluorophenol.

Physical properties about  Phenol,2-chloro-3,6-difluoro are: (1)ACD/LogP: 2.45; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 36.23; (6)ACD/BCF (pH 7.4): 2.78; (7)ACD/KOC (pH 5.5): 433.39; (8)ACD/KOC (pH 7.4): 33.3; (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: 1.522; (14)Molar Refractivity: 33.01 cm³; (15)Molar Volume: 108.2 cm³; (16)Polarizability: 13.08×10^-24cm³; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.52 g/cm³; (19)Flash Point: 57.6 °C; (20)Enthalpy of Vaporization: 42.49 kJ/mol; (21)Boiling Point: 171.7 °C at 760 mmHg; (22)Vapour Pressure: 1.04 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It may have risk of serious damage to eyes. It is harmful if it is swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. You should keep container in a well-ventilated place.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(F)c(Cl)c1O
(2) InChI: InChI=1/C6H3ClF2O/c7-5-3(8)1-2-4(9)6(5)10/h1-2,10H
(3) InChIKey: IXIZSAAJTPZUBU-UHFFFAOYAQ