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Phenol,2,3,4,5,6-pentafluoro-, 1-acetate

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Name

Phenol,2,3,4,5,6-pentafluoro-, 1-acetate

EINECS 242-891-0
CAS No. 19220-93-0 Density 1.526 g/cm3
PSA 26.30000 LogP 2.30740
Solubility Clear colorless solution at 50mg/ml in chloroform Melting Point 27-30 °C
Formula C8H3F5O2 Boiling Point 187.4 °C at 760 mmHg
Molecular Weight 226.103 Flash Point 70.8 °C
Transport Information N/A Appearance White powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 19220-93-0 (PENTAFLUOROPHENYL ACETATE) Hazard Symbols IrritantXi
Synonyms

Phenol,pentafluoro-, acetate (8CI,9CI);NSC 168737;Pentafluorophenyl acetate;Acetic acid pentafluorophenyl ester;(2,3,4,5,6-Pentafluorophenyl) acetate;

Article Data 14

Phenol,2,3,4,5,6-pentafluoro-, 1-acetate Specification

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%.

Phenol,2,3,4,5,6-pentafluoro-, 1-acetate can be used to produce 2-acetylamino-ethanol at the ambient temperature

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

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