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98-56-6

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98-56-6 Usage

Description

4-Chlorobenzotrifluoride acts as an important intermediate for dyes, pharmaceuticals, pesticides, insecticides and herbicides. It is widely used in various applications including adhesives, pigments, sealant chemicals, paints and coatings as well as being used as an active component of polyurethane finishes. It is also used as an environmental friendly solvent for cleaning or degreasing and dielectric fluid. Because of its high capacity to dissolve inks, it is also used in the printing industry. Finally, it also finds applications in xylene replacement in cleaners, thinners and other aromatic hydrocarbon blends1. Other applications for PCBTF include resins, epoxy resins, diluents, graffiti removers, and various other solvent applications.

Uses

Different sources of media describe the Uses of 98-56-6 differently. You can refer to the following data:
1. A benzene derivative; displays mutagenic and toxic activity.
2. Chemical intermediate for dinitroaniline herbicides, dyes. As dielectric fluid and as solvent.
3. 4-Chlorobenzotrifluoride acts as an important intermediate for dyes. It is used as an active component of polyurethane finishes. It is also used in adhesives, pigments, sealant chemicals, paints and coatings. Further, it is used as an environmental friendly solvent for cleaning or degreasing and dielectric fluid. It has a high capacity to dissolve inks, which is used in the printing industry. In addition to this, it is also used as xylene replacement in cleaners, thinners and other aromatic hydrocarbon blends.

General Description

Clear colorless liquid with an aromatic odor.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

4-Chlorobenzotrifluoride is sensitive to heat and light. 4-Chlorobenzotrifluoride reacts vigorously with oxidizing materials such as permanganates and dichromates. 4-Chlorobenzotrifluoride is incompatible with strong bases. 4-Chlorobenzotrifluoride is also incompatible with sodium dimethyl sulfonate.

Fire Hazard

4-Chlorobenzotrifluoride is combustible.

Safety Profile

Mildly toxic by ingestion and inhalation. Human mutation data reported. Flammable. Strongly exothermic reaction with sodium dimethylsulfinate. When heated to decomposition it emits toxic fumes of Fand Cl-. See also CHLORINATED HYDROCARBONS, AROMATIC; and FLUORIDES.

Purification Methods

Purify it as for o-chlorobenzotrifluoride above. [Beilstein 5 IV 815.]

Check Digit Verification of cas no

The CAS Registry Mumber 98-56-6 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 9 and 8 respectively; the second part has 2 digits, 5 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 98-56:
(4*9)+(3*8)+(2*5)+(1*6)=76
76 % 10 = 6
So 98-56-6 is a valid CAS Registry Number.
InChI:InChI:1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

98-56-6 Well-known Company Product Price

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  • TCI America

  • (C0305)  4-Chlorobenzotrifluoride  >98.0%(GC)

  • 98-56-6

  • 25g

  • 130.00CNY

  • Detail
  • TCI America

  • (C0305)  4-Chlorobenzotrifluoride  >98.0%(GC)

  • 98-56-6

  • 500g

  • 650.00CNY

  • Detail
  • Alfa Aesar

  • (A15154)  4-Chlorobenzotrifluoride, 98+%   

  • 98-56-6

  • 100g

  • 180.0CNY

  • Detail
  • Alfa Aesar

  • (A15154)  4-Chlorobenzotrifluoride, 98+%   

  • 98-56-6

  • 500g

  • 696.0CNY

  • Detail
  • Alfa Aesar

  • (A15154)  4-Chlorobenzotrifluoride, 98+%   

  • 98-56-6

  • 2500g

  • 2925.0CNY

  • Detail

98-56-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Chlorobenzotrifluoride

1.2 Other means of identification

Product number -
Other names Benzene, 1-chloro-4-(trifluoromethyl)-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Adhesives and sealant chemicals,Intermediates,Pigments,Processing aids, not otherwise listed,Solvents (for cleaning or degreasing),Solvents (which become part of product formulation or mixture)
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:98-56-6 SDS

98-56-6Relevant articles and documents

Cross-Coupling through Ag(I)/Ag(III) Redox Manifold

Demonti, Luca,Mézailles, Nicolas,Nebra, Noel,Saffon-Merceron, Nathalie

supporting information, p. 15396 - 15405 (2021/10/12)

In ample variety of transformations, the presence of silver as an additive or co-catalyst is believed to be innocuous for the efficiency of the operating metal catalyst. Even though Ag additives are required often as coupling partners, oxidants or halide scavengers, its role as a catalytically competent species is widely neglected in cross-coupling reactions. Most likely, this is due to the erroneously assumed incapacity of Ag to undergo 2e? redox steps. Definite proof is herein provided for the required elementary steps to accomplish the oxidative trifluoromethylation of arenes through AgI/AgIII redox catalysis (i. e. CEL coupling), namely: i) easy AgI/AgIII 2e? oxidation mediated by air; ii) bpy/phen ligation to AgIII; iii) boron-to-AgIII aryl transfer; and iv) ulterior reductive elimination of benzotrifluorides from an [aryl-AgIII-CF3] fragment. More precisely, an ultimate entry and full characterization of organosilver(III) compounds [K]+[AgIII(CF3)4]? (K-1), [(bpy)AgIII(CF3)3] (2) and [(phen)AgIII(CF3)3] (3), is described. The utility of 3 in cross-coupling has been showcased unambiguously, and a large variety of arylboron compounds was trifluoromethylated via [AgIII(aryl)(CF3)3]? intermediates. This work breaks with old stereotypes and misconceptions regarding the inability of Ag to undergo cross-coupling by itself.

Au@ZnO Core-Shell: Scalable Photocatalytic Trifluoromethylation Using CF3CO2Na as an Inexpensive Reagent under Visible Light Irradiation

Bazyar, Zahra,Hosseini-Sarvari, Mona

supporting information, p. 2345 - 2353 (2019/10/16)

Trifluoromethylation is of significant importance for the synthesis of many small molecules vital for medicinal and agrochemical research. The importance of the CF3 group as well as the related synthetic challenges is so evident that many reagents have been reported for the synthesis of trifluoromethylated compounds, but these typical reagents are expensive and the methods for preparing them are difficult. Here, we report a new scalable and operationally simple trifluoromethylation reaction using sodium trifluoroacetate as a reagent and Au-modified ZnO as a photocatalyst under visible light irradiation. The reaction proceeds via trifluoromethylation of a broad range of aryl halides, arylboronic acids, and arene and heteroarene substrates. Some pharmaceutical and agrochemical compounds have been trifluoromethylated directly to demonstrate the applicability of the method.

Synthesis method of 4-chlorobenzotrifluoride

-

Paragraph 0020-0035, (2019/12/02)

The invention discloses a synthetic method of 4-chlorobenzotrifluoride. P-chlorotoluene is used as a raw material, and 4-chlorobenzotrifluoride is synthesized through two steps of chlorination and fluorination. Compared with the prior art, the raw materials are subjected to heating dehydration treatment in the dehydration kettle, chlorination side reactions are few, the product purity is high, a graded chlorination device does not need to be added, the technological process is simple, and operation is convenient; according to the chlorination process, a mode of adding the catalyst in batches is adopted, so that the use efficiency of the catalyst is improved, the emission of byproducts and waste gas generated by chlorination reaction in production is greatly reduced, and the emission of pollutants in the production process is reduced.

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