84737-23-5

Basic information

• Product Name: 2,4,5-trichloro-4-trifluoropyriMidine
• Synonyms: 2,4,5-trichloro-4-trifluoropyriMidine;2,4,5-Trichloro-6-(trifluoromethyl)pyrimidine
• CAS NO: 84737-23-5
• Molecular Formula: C₅Cl₃F₃N₂
• Molecular Weight: 240.4183496
• Mol File: 84737-23-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 254.9°Cat760mmHg
• Flash Point: 108°C
• Appearance: /
• Density: 1.731g/cm³
• Vapor Pressure: 0.0269mmHg at 25°C
• Refractive Index: 1.491
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -8.98±0.41(Predicted)
• CAS DataBase Reference: 2,4,5-trichloro-4-trifluoropyriMidine(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,5-trichloro-4-trifluoropyriMidine(84737-23-5)
• EPA Substance Registry System: 2,4,5-trichloro-4-trifluoropyriMidine(84737-23-5)

Safety Data

• Hazardous Substances Data: 84737-23-5(Hazardous Substances Data)

Usage

General Description

2,4,5-trichloro-4-trifluoropyriMidine is a chemical compound with the molecular formula C5HCl3F3N2. It is a white crystalline solid that is commonly used as an intermediate in the production of agrochemicals. 2,4,5-trichloro-4-trifluoropyriMidine is known for its herbicidal properties and is often used in the formulation of weed control products. 2,4,5-trichloro-4-trifluoropyriMidine is also used in the synthesis of pharmaceuticals and other organic compounds. It is important to handle this chemical with care, as exposure can cause irritation to the skin, eyes, and respiratory system. Additionally, it is important to follow proper safety procedures when working with this compound to minimize any potential health risks.

InChI:InChI=1/C5Cl3F3N2/c6-1-2(5(9,10)11)12-4(8)13-3(1)7

Upstream product

• 85730-40-1 5-Chloro-6-trifluoromethyluracil 
• 121-69-7 N,N-dimethyl-aniline 

Downstream Products

• 93669-60-4 5-Chloro-2-methoxy-4-N-methylanilino-6-trifluoromethylpyrimidine 
• 93669-63-7 4-N-Methylanilino-6-trifluoromethylpyrimidin-2-ol 
• 93669-55-7 5-Chloro-2,4-bis(N-methylanilino)-6-trifluoromethylpyrimidine 
• 93669-59-1 2,5-Dichloro-4-N-methylanilino-6-trifluoromethylpyrimidine 

Relevant articles and documents

Pyrimidines. 7. A Study of the Chlorination of Pyrimidines with Phosphorus Oxychloride in the Presence of N,N-Dimethylaniline

The chlorination of 6-trifluoromethyluracils by phosphorus oxychloride in the presence of N,N-dimethylaniline was studied and compared with results obtained with 6-methyluracils. 6-Trifluoromethyluracils and its 5-chloro analog afforded moderate yields of the di- and trichloropyrimidines, accompanied by good yields of the 2-N-methylanilino by-products, after a 3-hour reaction time.After 24 hours, the 2-N-methylanilinopyrimidines were the primary or sole products.A small yield of 2,4-bis(N-methylanilino)-6-trifluoromethylpyrimidine was also obtained.The 6-methyluracils afforded high yields of the di- and trichloropyrimidines, after 3 and 24 hours, along with minor amounts of the 2-N-methylanilino by-products.After 48 hours, the proportion of 2,4-dichloro-6-methylpyrimidine decreased, and the 2-N-methylanilino product increased. 2-Chloro-4-methylanilino-6-methylpyrimidine and bis(2-N-methylanilino)-6-methylpyrimidine were also formed in small amounts.The chlorination products from 5-chloro-6-methyluracil remained constant over 188 hours of reaction time. It appears that the Π electron distribution around the ring, as influenced by the substituents, controls the course of the chlorination and by-product formation.Since the amination by a tertiary amine is a type of Hoffmann reaction, the presence of the chlorine in 5 position of the ring adds steric hindrance and thus enhances the regiospecificity of the formation of by-products.