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401-78-5 Usage

Chemical Properties

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID

Uses

1-Bromo-3-(trifluoromethyl)benzene is used in the synthesis of calcium channel inhibitors for inflammatory and neuropathic pain.

Check Digit Verification of cas no

The CAS Registry Mumber 401-78-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,0 and 1 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 401-78:
(5*4)+(4*0)+(3*1)+(2*7)+(1*8)=45
45 % 10 = 5
So 401-78-5 is a valid CAS Registry Number.
InChI:InChI=1/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H

401-78-5 Well-known Company Product Price

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  • Alfa Aesar

  • (A14724)  3-Bromobenzotrifluoride, 98+%   

  • 401-78-5

  • 25g

  • 210.0CNY

  • Detail
  • Alfa Aesar

  • (A14724)  3-Bromobenzotrifluoride, 98+%   

  • 401-78-5

  • 100g

  • 581.0CNY

  • Detail
  • Alfa Aesar

  • (A14724)  3-Bromobenzotrifluoride, 98+%   

  • 401-78-5

  • 500g

  • 2044.0CNY

  • Detail

401-78-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Bromobenzotrifluoride

1.2 Other means of identification

Product number -
Other names 3-Bromobenzofluride

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:401-78-5 SDS

401-78-5Relevant articles and documents

Base-catalyzed aryl halide isomerization enables the 4-selective substitution of 3-bromopyridines

Bandar, Jeffrey S.,Puleo, Thomas R.

, p. 10517 - 10522 (2020/10/18)

The base-catalyzed isomerization of simple aryl halides is presented and utilized to achieve the 4-selective etherification, hydroxylation and amination of 3-bromopyridines. Mechanistic studies support isomerization of 3-bromopyridines to 4-bromopyridines proceedsviapyridyne intermediates and that 4-substitution selectivity is driven by a facile aromatic substitution reaction. Useful features of a tandem aryl halide isomerization/selective interception approach to aromatic functionalization are demonstrated. Example benefits include the use of readily available and stable 3-bromopyridines in place of less available and stable 4-halogenated congeners and the ability to converge mixtures of 3- and 5-bromopyridines to a single 4-substituted product.

Efficient and practical 3-bromobenzotrifluoride synthesis method

-

Paragraph 0023-0028, (2018/10/19)

The invention discloses an efficient and practical 3-bromobenzotrifluoride synthesis method, which comprises the following concrete steps that (1) acetic acid and water are added into a reaction container; then, 98-percent sulphuric acid is dropwise added; (2) benzotrifluoride is added; sodium bromide is added in batches; the temperature during the charging is controlled not to exceed 45 DEG C; (3) after the reaction is completed, the material temperature in the container is lowered to 30 DEG C or below; after the still standing, an organic layer A is separated out; meanwhile, a water layer Bis left; (4) an organic solvent is added into the water layer B; extraction is performed once; an organic layer C is separated out; (5) the organic layers A and C are merged; water is added into a mixed solution; after the stirring, still standing is performed in a liquid separating funnel; an upper layer water phase and a lower organic layer are separated; (6) the organic layer obtained in the step (5) is washed by a NaOH water solution; (7) the organic layer in the step (6) is subjected to operations such as separation and drying, 3-bromobenzotrifluoride can be obtained. The NaBrO3-H2SO4-CH3COOH system is adopted for reaction; three wastes (waste water, waste solid and waste gas) are few; high efficiency and practicability are realized.

Copper-Promoted Conversion of Aromatic Amines into Trifluoromethylated Arenes: One-Pot Sandmeyer Trifluoromethylation

Hong, Jianquan,Wang, Guifu,Huo, Lianguang,Zheng, Changge

supporting information, p. 1761 - 1767 (2017/09/06)

A simple copper-promoted one-pot Sandmeyer trifluoromethylation of aromatic amines with Langlois’ reagent has been demonstrated. The reaction is performed in mild reaction conditions under an air atmosphere with good substrate scope and functional group compatibility. It provides an alternative and straightforward synthetic approach to access a variety of trifluoromethylated arenes.

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