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622-95-7

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622-95-7 Usage

Chemical Properties

White crystalline low melting solid

Uses

Different sources of media describe the Uses of 622-95-7 differently. You can refer to the following data:
1. 4-Chlorobenzyl bromide is used as pharmaceutical intermediate.
2. 4-Chlorobenzyl bromide may be used to synthesize 1-(4-chlorobenzyl)-2-(pyrrolidin-1-yl-methyl)-1H-benzimidazole dihydrochloride

General Description

4-Chlorobenzyl bromide undergoes carbonylation in the presence of dimer of chloro(1,5-cyclooctadiene)rhodium(I) to yield the corresponding phenylacetic acid. It can be synthesized by reacting 4-chlorobenzyl alcohol with bromodimethylsulfonium bromide (BDMS) It can also be synthesized by refluxing a mixture of 4-chlorobenzaldehyde, chlorotrimethylsilane, 1,1,3,3-tetramethyldisiloxane and lithium bromide.

Check Digit Verification of cas no

The CAS Registry Mumber 622-95-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 2 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 622-95:
(5*6)+(4*2)+(3*2)+(2*9)+(1*5)=67
67 % 10 = 7
So 622-95-7 is a valid CAS Registry Number.
InChI:InChI=1/C7H6BrCl/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

622-95-7 Well-known Company Product Price

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  • Alfa Aesar

  • (B22858)  4-Chlorobenzyl bromide, 98+%   

  • 622-95-7

  • 5g

  • 858.0CNY

  • Detail
  • Alfa Aesar

  • (B22858)  4-Chlorobenzyl bromide, 98+%   

  • 622-95-7

  • 25g

  • 1661.0CNY

  • Detail
  • Alfa Aesar

  • (B22858)  4-Chlorobenzyl bromide, 98+%   

  • 622-95-7

  • 100g

  • 6327.0CNY

  • Detail

622-95-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Chlorobenzyl bromide

1.2 Other means of identification

Product number -
Other names 1-(bromomethyl)-4-chlorobenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:622-95-7 SDS

622-95-7Relevant articles and documents

Role of Cage Return and Solvent Viscosity in the Temperature-Dependent Kinetics of Benzylic Bromination

Tanner, Dennis D.,Nam, Hguyen H.

, p. 4686 - 4688 (1987)

The effect of temperature on both the kinetic isotope effect in the homolytic abstraction of benzylic hydrogen by bromine and the competitive brominations of toluene and a ring-substituted toluene was interpreted as being due not only to the activation parameters involved in abstraction but upon the viscosity dependence of the kinetic results.Internal cage return was shown to be viscosity dependent, and the resultant kinetic isotope effect was corrected to account for cage reversal.The viscosity dependence in the relative rates of competitive bromination of toluene and p-chlorotoluene showed an inverse correlation to that obtained with temperature.The nonmonotonic Arrhenius plot previously reported could be explained on the basis of these two opposing effects, as well as the fact that over the range of temperature previously reported the reaction mixtures became nonhomogeneous.

Synthesis, Docking, and Biological activities of novel Metacetamol embedded [1,2,3]-triazole derivatives

Battu, Satyanarayana,Joolakanti, Hima Bindhu,Kamepalli, Ramanjaneyulu,Miryala, Jeevanreddy

, (2021/06/18)

ERα controls the breast tissue development and progression of breast cancer. In our search for novel compounds to target Estrogen Receptor Alpha Ligand-Binding Domain, we identified “N-(3-((1H-1,2,3-triazol-4-yl)methoxy)phenyl)acetamide” derivatives as lead compounds. The Docking studies indicated good docking score for Metacetamol derivatives when docked into the 1XP6. A series of metacetamol derivatives have been synthesized, characterized and evaluated for cytotoxicity, anti bacterial and anti oxidant activities. Among the tested twelve hybrid compounds, “7a, 7g, 7h and 7i” derivatives showed promising cytotoxicity with IC50 value of 50 value of 30 μM, whereas Compounds “7a, 7b, 7c, 7d, 7g, 7j, 7k and 7l” showed moderate anti bacterial activity with the MIC value of 300 μM.

Thiourea-Catalyzed C?F Bond Activation: Amination of Benzylic Fluorides

Houle, Camille,Savoie, Paul R.,Davies, Clotilde,Jardel, Damien,Champagne, Pier Alexandre,Bibal, Brigitte,Paquin, Jean-Fran?ois

supporting information, p. 10620 - 10625 (2020/07/24)

We describe the first thiourea-catalyzed C?F bond activation. The use of a thiourea catalyst and Ti(OiPr)4 as a fluoride scavenger allows the amination of benzylic fluorides to proceed in moderate to excellent yields. Preliminary results with S- and O-based nucleophiles are also presented. DFT calculations reveal the importance of hydrogen bonds between the catalyst and the fluorine atom of the substrate to lower the activation energy during the transition state.

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