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181705-93-1

Basic Information
CAS No.: 181705-93-1
Name: 4-FLUOROPHENYLZINC BROMIDE
Article Data: 11
Molecular Structure:
Molecular Structure of 181705-93-1 (4-FLUOROPHENYLZINC BROMIDE)
Formula: C6H4BrFZn
Molecular Weight: 240.39
Synonyms: 4-Fluorophenylzincbromide;Bromo(4-fluorophenyl)zinc;
Density: 0.992 g/mL at 25 °C
Boiling Point: 84.7°C at 760 mmHg
Flash Point: 1 °F
Hazard Symbols: FlammableF,HarmfulXn
Risk Codes: 19-22-36/38
Safety: 16-26-33-36
PSA: 0.00000
LogP: 2.47150
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Specification

The Zinc,bromo(4-fluorophenyl)-, with the CAS registry number 181705-93-1, is also known as 4-Fluorophenylzinc bromide. It belongs to the product categories of Aryl; Organozinc Halides; Reike and Organozinc Reagents. This chemical's molecular formula is C6H4BrFZn and molecular weight is 240.39. Its systematic name is called bromo-(4-fluorophenyl)zinc.

Uses of Zinc,bromo(4-fluorophenyl)-: it can be used to produce 4-(4-fluorophenyl)coumarin at temperature of 25 °C. This reaction will need reagent NiCl2(dppe) and solvent benzene with reaction time of 1 hour. The yield is about 78%.

4-(4-fluorophenyl)coumarin can be prepared by 4-diethoxyphosphoryloxy-coumarin and 4-fluorophenylzinc bromide

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. In addition, it cause damage to health and is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Br[Zn]c1ccc(F)cc1
(2)InChI: InChI=1/C6H4F.BrH.Zn/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q;;+1/p-1/rC6H4BrFZn/c7-9-6-3-1-5(8)2-4-6/h1-4H
(3)InChIKey: WNISLGQPJBRXAD-CDKOOKQDAV