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131379-14-1

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Basic Information
CAS No.: 131379-14-1
Name: 4-CYANOPHENYLZINC BROMIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 131379-14-1 (4-CYANOPHENYLZINC BROMIDE)
Formula: C7H4BrNZn
Molecular Weight: 247.409
Synonyms: Benzonitrile,zinc complex;4-(Cyanophenyl)zinc bromide;Bromo(4-cyanophenyl)zinc;
Density: 0.98 g/mL at 25 °C
Flash Point: 1 °F
Solubility: Reacts with water.
Hazard Symbols: HarmfulXn; FlammableF
Risk Codes: 19-22-36/38
Safety: 16-26-33-36
Transport Information: UN 3399
PSA: 23.79000
LogP: 2.20158
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Specification

The Zinc,bromo(4-cyanophenyl)-, with CAS registry number 131379-14-1, belongs to the following product categories: (1)Alkyl; (2)Organozinc Halides; (3)Reike and Organozinc Reagents. It has the systematic name of bromo-(4-cyanophenyl)zinc. Besides this, it is also called 4-Cyanophenylzinc bromide. And the chemical formula of this chemical is C7H4BrNZn.

Physical properties of Zinc,bromo(4-cyanophenyl)-: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 23.79 Å2.

Uses of Zinc,bromo(4-cyanophenyl)-: it can be used to produce biphenyl-4-carbonitrile. This reaction will need reagents Pd(dba)2, dppf and solvents tetrahydrofuran, hexane. The reaction time is 1.5 hour(s) with reaction temperature of 60 ℃. The yield is about 74%.

When you are using this chemical, please be cautious about it as the following:
The Zinc,bromo(4-cyanophenyl)- may form explosive peroxides, so keep it away from sources of ignition. This chemical irritates to eyes, respiratory system and skin. And it is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. You should take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc([Zn]Br)cc1
(2)InChI: InChI=1/C7H4N.BrH.Zn/c8-6-7-4-2-1-3-5-7;;/h2-5H;1H;/q;;+1/p-1/rC7H4BrNZn/c8-10-7-3-1-6(5-9)2-4-7/h1-4H
(3)InChIKey: DQAGGJQTDPSZRG-WATFAIBJAK
(4)Std. InChI: InChI=1S/C7H4N.BrH.Zn/c8-6-7-4-2-1-3-5-7;;/h2-5H;1H;/q;;+1/p-1
(5)Std. InChIKey: DQAGGJQTDPSZRG-UHFFFAOYSA-M