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5122-16-7

Basic Information
CAS No.: 5122-16-7
Name: PENTAFLUOROPHENACYL BROMIDE
Article Data: 5
Molecular Structure:
Molecular Structure of 5122-16-7 (PENTAFLUOROPHENACYL BROMIDE)
Formula: C8H2BrF5O
Molecular Weight: 288.999
Synonyms: w-Bromopentafluoroacetophenone;Acetophenone,2-bromo-2',3',4',5',6'-pentafluoro- (7CI,8CI);Ethanone,2-bromo-1-(pentafluorophenyl)- (9CI);2-Bromo-1-(pentafluorophenyl)ethan-1-one;Bromoacetylpentafluorobenzene;a-Bromo-2,3,4,5,6-pentafluoroacetophenone;2-Bromo-1-(pentafluorophenyl)ethanone;2-Bromo-1-(2,3,4,5,6-pentafluorophenyl)ethanone;
Density: 1.862 g/cm3
Melting Point: 30-32 °C
Boiling Point: 247 °C at 760 mmHg
Flash Point: 103.2 °C
Appearance: low melting point solid
Hazard Symbols: ToxicT
Risk Codes: 34-36/37/38
Safety: 26-36/37/39
Transport Information: UN 1759
PSA: 17.07000
LogP: 2.95970
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Specification

The Ethanone,2-bromo-1-(2,3,4,5,6-pentafluorophenyl)-, with the CAS registry number 5122-16-7, is also known as 2-Bromo-1-(2,3,4,5,6-pentafluorophenyl)ethanone. This chemical's molecular formula is C8H2BrF5O and molecular weight is 288.997. What's more, its systematic name is 2-bromo-1-(pentafluorophenyl)ethanone. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.

Physical properties of Ethanone,2-bromo-1-(2,3,4,5,6-pentafluorophenyl)- are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.27; (6)ACD/BCF (pH 7.4): 10.27; (7)ACD/KOC (pH 5.5): 184.4; (8)ACD/KOC (pH 7.4): 184.4; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 43.98 cm3; (15)Molar Volume: 155.1 cm3; (16)Polarizability: 17.43×10-24cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.862 g/cm3; (19)Flash Point: 103.2 °C; (20)Enthalpy of Vaporization: 48.41 kJ/mol; (21)Boiling Point: 247 °C at 760 mmHg; (22)Vapour Pressure: 0.0263 mmHg at 25°C.

Uses of Ethanone,2-bromo-1-(2,3,4,5,6-pentafluorophenyl)-: it can be used to produce triethyl-[1-(2,3,4,5,6-pentafluoro-phenyl)-vinyloxy]-silane at the temperature of -30 °C. It will need solvent hexane with the reaction time of 3 min. The yield is about 86%.

Ethanone,2-bromo-1-(2,3,4,5,6-pentafluorophenyl)- can be used to produce triethyl-[1-(2,3,4,5,6-pentafluoro-phenyl)-vinyloxy]-silane at the temperature of -30 °C

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. 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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(=O)C1=C(C(=C(C(=C1F)F)F)F)F)Br
(2)InChI: InChI=1S/C8H2BrF5O/c9-1-2(15)3-4(10)6(12)8(14)7(13)5(3)11/h1H2
(3)InChIKey: CIYHGZNFDGHGDK-UHFFFAOYSA-N