Product Name

  • Name

    4-CYANOPHENYLZINC BROMIDE

  • EINECS
  • CAS No. 131379-14-1
  • Article Data7
  • CAS DataBase
  • Density 0.98 g/mL at 25 °C
  • Solubility Reacts with water.
  • Melting Point
  • Formula C7H4BrNZn
  • Boiling Point
  • Molecular Weight 247.409
  • Flash Point 1 °F
  • Transport Information UN 3399
  • Appearance
  • Safety 16-26-33-36
  • Risk Codes 19-22-36/38
  • Molecular Structure Molecular Structure of 131379-14-1 (4-CYANOPHENYLZINC BROMIDE)
  • Hazard Symbols HarmfulXn; FlammableF
  • Synonyms Benzonitrile,zinc complex;4-(Cyanophenyl)zinc bromide;Bromo(4-cyanophenyl)zinc;
  • PSA 23.79000
  • LogP 2.20158

Zinc,bromo(4-cyanophenyl)- 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

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