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2,4,6-Trifluorobenzyl chloride, with the molecular formula C7H4ClF3, is a colorless to light yellow liquid chemical compound. It serves as a crucial building block in organic synthesis, particularly for the production of pharmaceuticals, agrochemicals, and other fine chemicals. This versatile reagent is known for its ability to introduce the trifluoromethyl group into various organic molecules, enhancing their properties and applications. However, due to its reactive nature, it requires careful handling and storage to prevent irritation to the eyes, skin, and respiratory system, as well as to avoid flammability hazards.

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  • 247564-62-1 Structure
  • Basic information

    1. Product Name: 2,4,6-TRIFLUOROBENZYL CHLORIDE
    2. Synonyms: 2,4,6-TRIFLUOROBENZYL CHLORIDE
    3. CAS NO:247564-62-1
    4. Molecular Formula: C7?H4?Cl?F3?
    5. Molecular Weight: 180.5549
    6. EINECS: N/A
    7. Product Categories: Miscellaneous
    8. Mol File: 247564-62-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 162.9 °C at 760 mmHg
    3. Flash Point: 57 °C
    4. Appearance: /
    5. Density: 1.391 g/cm3
    6. Vapor Pressure: 2.76mmHg at 25°C
    7. Refractive Index: 1.466
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2,4,6-TRIFLUOROBENZYL CHLORIDE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2,4,6-TRIFLUOROBENZYL CHLORIDE(247564-62-1)
    12. EPA Substance Registry System: 2,4,6-TRIFLUOROBENZYL CHLORIDE(247564-62-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 247564-62-1(Hazardous Substances Data)

247564-62-1 Usage

Uses

Used in Pharmaceutical Industry:
2,4,6-Trifluorobenzyl chloride is used as a key intermediate in the synthesis of various pharmaceutical compounds for its ability to introduce the trifluoromethyl group, which can improve the pharmacokinetic and pharmacodynamic properties of the resulting drugs.
Used in Agrochemical Industry:
In the agrochemical sector, 2,4,6-trifluorobenzyl chloride is utilized as a precursor in the development of new pesticides and herbicides. The trifluoromethyl group it introduces can enhance the effectiveness and selectivity of these agrochemicals.
Used in Fine Chemicals Industry:
2,4,6-Trifluorobenzyl chloride is employed as a versatile reagent in the synthesis of fine chemicals, including specialty chemicals and intermediates for various applications, due to its ability to modify the properties of target molecules by incorporating the trifluoromethyl group.
Used in Organic Synthesis:
As a building block in organic synthesis, 2,4,6-trifluorobenzyl chloride is used for the preparation of a wide range of organic compounds, leveraging its reactivity to form new chemical entities with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 247564-62-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,4,7,5,6 and 4 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 247564-62:
(8*2)+(7*4)+(6*7)+(5*5)+(4*6)+(3*4)+(2*6)+(1*2)=161
161 % 10 = 1
So 247564-62-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H4ClF3/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2

247564-62-1SDS

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 2-(chloromethyl)-1,3,5-trifluorobenzene

1.2 Other means of identification

Product number -
Other names 2,4,6-Trifluorobenzyl chloride

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:247564-62-1 SDS

247564-62-1Downstream Products

247564-62-1Relevant articles and documents

Synthesis method of 2,4,6-trifluorobenzylamine

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Paragraph 0005; 0008; 0010; 0011, (2018/10/27)

The invention relates to a synthesis method of 2,4,6-trifluorobenzylamine and mainly aims to solve the technical problem of lack of effective synthesis methods. The synthesis method comprises the following steps: continuously filling hydrogen chloride gas into a mixed solution with 1,3,5-trifluorobenzene, paraformaldehyde, ,sulfuric acid and acetic acid mixed solution of zinc chloride to generatea compound I; performing reaction on the compound I with urotropine to generate a quaternary ammonium salt compound II; and hydrolyzing the compound II in methyl alcohol and concentrated hydrochloricacid to generate a target compound III. The synthesis method is simple and few in steps, simple to operate, low in production cost, high in product purity and high in yield, and is suitable for industrial production.

A 2, 4, 6- three fluorine animal pens method for the preparation of amine compounds

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Paragraph 0058; 0059, (2017/01/23)

The invention relates to a preparation method of a 2,4,6-trifluoro-benzylamine compound. The preparation method comprises the following steps: taking 1,3,5-trifluoro-benzene as a raw material, and preparing 2,4,6-trifluoro-benzylamine through lithiation, formylation, reduction, halogenation and replacement reaction. The reaction condition is mild, the operability is high, the atom economy is high, the technology is simple and easy to realize industrialization, and the product is high in purity and stable in quality, so that the compound accords with the using requirement of being as an intermediate.

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