220141-74-2

Basic information

• Product Name: 2,4,5-Trifluorophenylacetonitrile
• Synonyms: 2,4,5-TRIFLUOROPHENYLACETONITRILE;2,4,5-TRIFLUOROBENZYL CYANIDE;2,4,5-Trifluorophenylacetonitrile 97%;2,4,5-Trifluorophenylacetonitrile97%;2-(2,4,5-trifluorophenyl)acetonitrile
• CAS NO: 220141-74-2
• Molecular Formula: C₈H₄F₃N
• Molecular Weight: 171.12
• Product Categories: Aromatic Nitriles;Nitrile;Fluorine series
• Mol File: 220141-74-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 214.4°Cat760mmHg
• Flash Point: 83.5°C
• Appearance: /
• Density: 1.35
• Vapor Pressure: 0.156mmHg at 25°C
• Refractive Index: 1.468
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 2,4,5-Trifluorophenylacetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,5-Trifluorophenylacetonitrile(220141-74-2)
• EPA Substance Registry System: 2,4,5-Trifluorophenylacetonitrile(220141-74-2)

Safety Data

• Hazard Codes: T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-36/37-23-9
• RIDADR: 3276
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 220141-74-2(Hazardous Substances Data)

Usage

General Description

2,4,5-Trifluorophenylacetonitrile is a synthetic chemical compound belonging to the group of organic compounds known as nitriles. The presence of fluorine atoms in its structure, along with a cyano group (-CN), contributes to its distinctive chemical behavior. Its chemical formula is C8H3F3N and it is often used in research and development in the pharmaceutical industry due to its potential for creating unique molecular structures. The compound is typically a clear colorless liquid and known for its potent, often unpleasant, odor. Despite its utility in research, it can pose certain health risks if not handled properly, including eye and skin irritation and potential harm if ingested or inhaled.

InChI:InChI=1/C8H4F3N/c9-6-4-8(11)7(10)3-5(6)1-2-12/h3-4H,1H2

Upstream product

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• 773837-37-9 sodium cyanide 
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Downstream Products

• 209995-38-0 (2,4,5-trifluorophenyl)acetic acid 
• 764667-65-4 1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione 
• 1151240-88-8 3-oxo-4-(2,4,5-trifluorophenyl)-butyric acid ethyl ester 
• 1151240-89-9 3-amino-4-(2,4,5-trifluorophenyl)-but-2-enoic acid ethyl ester 
• 1192494-30-6 (4aR,7aS)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-7a-(4-fluorophenyl)-2-imino-3-methylhexahydro-1H-pyrrolo[3,4-d]-pyrimidin-4(4aH)-one 
• 1552305-97-1 C₁₃H₁₂F₃NO 
• 1037235-15-6 4-oxo-1-(2,4,5-trifluorophenyl)-cyclohexanecarbonitrile 
• 1037235-13-4 5-cyano-2-oxo-5-(2,4,5-trifluorophenyl)cyclohexanecarboxylic acid methyl ester 
• 1253056-05-1 (S)-1-(2,4,5-trifluorophenyl)pent-4-en-2-amine 
• 1253056-06-2 1-(2,4,5-trifluorophenyl)pent-4-en-2-amine 
• 1037235-11-2 4-cyano-4-(2,4,5-trifluorophenyl)heptanedioic acid dimethyl ester 

Relevant articles and documents

Preparation method of 2,4,5-trifluorophenylacetic acid

The invention belongs to the technical field of preparation of drug intermediates, and discloses a preparation method of 2,4,5-trifluorophenylacetic acid, wherein the preparation method comprises the steps: step 1, reacting raw materials, a quaternary ammonium salt catalyst, sulfolane and potassium fluoride to obtain a first intermediate; step 2, carrying out hydrogenation catalytic reaction on the first intermediate to obtain a second intermediate; step 3, carrying out salt forming reaction on the second intermediate and a fluorinating reagent, quenching, and carrying out diazotization reaction on the second intermediate and a sodium nitrite aqueous solution to obtain diazonium salt; step 4, carrying out high-temperature cracking on the diazonium salt, to obtain 2,4,5-trifluorotoluene; and step 5 to step 7, carrying out halogenation, cyanidation and hydrolysis reactions on 2,4,5-trifluorotoluene in sequence, and thus obtaining 2,4,5-trifluorophenylacetic acid. The raw materials adopted by the method are easy to obtain and low in cost, the yield of the corresponding product obtained in each step is high, and large-scale production of the 2,4,5-trifluorophenylacetic acid is facilitated.