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2,3,5,6-Tetrafluoro-4-trifluoromethyl-benzoyl fluoride is a chemical compound characterized by its molecular formula C8H2F7O2. It is a highly reactive and toxic substance distinguished by its strong fluorine substituents, which are beneficial for the incorporation of fluorine atoms into organic molecules. 2,3,5,6-TETRAFLUORO-4-TRIFLUOROMETHYL-BENZOYL FLUORIDE serves as a crucial building block in the synthesis of pharmaceuticals and agrochemicals, and its reactivity makes it a significant intermediate in the production of specialty chemicals. However, due to its toxic and potentially hazardous nature, it requires careful handling.

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  • 117338-23-5 Structure
  • Basic information

    1. Product Name: 2,3,5,6-TETRAFLUORO-4-TRIFLUOROMETHYL-BENZOYL FLUORIDE
    2. Synonyms: TETRAFLUORO-4-TRIFLUOROMETHYLBENZOYLFLUORIDE;2,3,5,6-TETRAFLUORO-4-TRIFLUOROMETHYL-BENZOYL FLUORIDE;2,3,5,6-TETRAFLUORO-4-(TRIFLUOROMETHYL)BENZOYL FLUOROIDE
    3. CAS NO:117338-23-5
    4. Molecular Formula: C8F8O
    5. Molecular Weight: 264.07
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 117338-23-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 195.6°C at 760 mmHg
    3. Flash Point: 72.4°C
    4. Appearance: /
    5. Density: 1.647g/cm3
    6. Vapor Pressure: 0.417mmHg at 25°C
    7. Refractive Index: 1.375
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2,3,5,6-TETRAFLUORO-4-TRIFLUOROMETHYL-BENZOYL FLUORIDE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2,3,5,6-TETRAFLUORO-4-TRIFLUOROMETHYL-BENZOYL FLUORIDE(117338-23-5)
    12. EPA Substance Registry System: 2,3,5,6-TETRAFLUORO-4-TRIFLUOROMETHYL-BENZOYL FLUORIDE(117338-23-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 34
    3. Safety Statements: 26-36/37/39
    4. RIDADR: 3265
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 117338-23-5(Hazardous Substances Data)

117338-23-5 Usage

Uses

Used in Pharmaceutical Industry:
2,3,5,6-Tetrafluoro-4-trifluoromethyl-benzoyl fluoride is used as a key intermediate for the synthesis of various pharmaceuticals. Its strong fluorine substituents facilitate the introduction of fluorine atoms into organic molecules, which can enhance the pharmacological properties of the resulting compounds, such as their bioavailability, metabolic stability, and receptor binding affinity.
Used in Agrochemical Industry:
In the agrochemical industry, 2,3,5,6-tetrafluoro-4-trifluoromethyl-benzoyl fluoride is utilized as a building block for the development of new agrochemicals. The incorporation of fluorine atoms can improve the efficacy, selectivity, and environmental persistence of these compounds, making them more effective in controlling pests and diseases in agriculture.
Used in Specialty Chemicals Production:
2,3,5,6-Tetrafluoro-4-trifluoromethyl-benzoyl fluoride is employed as an important intermediate in the production of specialty chemicals. Its high reactivity allows for the synthesis of a wide range of chemical compounds with unique properties and applications, such as advanced materials, dyes, and fragrances. However, due to its toxic nature, it must be handled with caution to ensure the safety of workers and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 117338-23-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,7,3,3 and 8 respectively; the second part has 2 digits, 2 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 117338-23:
(8*1)+(7*1)+(6*7)+(5*3)+(4*3)+(3*8)+(2*2)+(1*3)=115
115 % 10 = 5
So 117338-23-5 is a valid CAS Registry Number.
InChI:InChI=1/C8F8O/c9-3-1(7(13)17)4(10)6(12)2(5(3)11)8(14,15)16

117338-23-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzoyl fluoride

1.2 Other means of identification

Product number -
Other names 2,3,4,5-TETRADEHYDRO ALFUZOSIN-D3 HYDROCHLORIDE

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:117338-23-5 SDS

117338-23-5Relevant articles and documents

REACTION OF PERFLUORINATED METHYL- AND ALKENYLBENZENES WITH INORGANIC OXIDES IN THE PRESENCE OF ANTIMONY PENTAFLUORIDE

Karpov, V. M.,Panteleev, I. V.,Platonov, V. E.

, p. 1932 - 1938 (2007/10/02)

A study was carried out on the reaction of perfluorinated toluene, m-xylene, p-xylene, mesitylene, and m-(1-propenyl)toluene with inorganic oxides in the presence of antimony pentafluoride.Depending on the reaction conditions, polyfluorinated acids resulting from the consecutive conversion of trifluoromethyl groups into carboxylic acid groups are obtained after hydrolysis of the reaction mixtures.

Process for the preparation of 2,3,5,6-tetrafluorobenzoic acid, and the new compounds 2,3,5,6-tetrachloro-4-trifluoromethyl-benzoyl chloride and 2,3,5,6-tetrafluoro-4-trifluoromethyl-benzoyl fluoride

-

, (2008/06/13)

2,3,5,6-Tetrafluorobenzoic acid is prepared from 4-trifluoromethyl-benzoyl fluoride by chlorination, fluorination, hydrolysis, decarboxylation and saponification. The new compounds 2,3,5,6-tetrachloro-4-trifluoromethyl-benzoyl chloride and 2,3,5,6-tetrafluoro-4-trifluoromethyl-benzoyl fluoride are produced during this as intermediates.

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