PENTAFLUOROPHENYL ACETATE

The Phenol,2,3,4,5,6-pentafluoro-, 1-acetate, with the CAS registry number 19220-93-0, is also known as Acetic acid pentafluorophenyl ester. This chemical's molecular formula is C₈H₃F₅O₂ and molecular weight is 226.1. What's more, its systematic name is Pentafluorophenyl acetate and its EINECS number is 242-891-0.

Physical properties of Phenol,2,3,4,5,6-pentafluoro-, 1-acetate are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 42.45; (6)ACD/BCF (pH 7.4): 42.45; (7)ACD/KOC (pH 5.5): 509.17; (8)ACD/KOC (pH 7.4): 509.17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 37.56 cm³; (15)Molar Volume: 148.1 cm³; (16)Polarizability: 14.89×10^-24 cm³; (17)Surface Tension: 29.2 dyne/cm; (18)Density: 1.526 g/cm³; (19)Flash Point: 70.8 °C; (20)Enthalpy of Vaporization: 42.36 kJ/mol; (21)Boiling Point: 187.4 °C at 760 mmHg; (22)Vapour Pressure: 0.63 mmHg at 25°C.

Uses of Phenol,2,3,4,5,6-pentafluoro-, 1-acetate: it can be used to produce 2-acetylamino-ethanol at the ambient temperature. It will need solvent dimethylformamide and the yield is about 98%.

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, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
(2)InChI: InChI=1S/C8H3F5O2/c1-2(14)15-8-6(12)4(10)3(9)5(11)7(8)13/h1H3
(3)InChIKey: ZXTVBLZVILLKPM-UHFFFAOYSA-N