5-Chloro-2-(trifluoromethyl)pyrimidine

Basic Information

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CAS Number

845618-08-8

Molecular Formula

C5H2ClF3N2

Molecular Weight

182.53 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

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FC(F)(F)C1=NC=C(Cl)C=N1

InChI

InChI=1S/C5H2ClF3N2/c6-3-1-10-4(11-2-3)5(7,8)9/h1-2H

InChIKey

MXCKWZRZRRBNMX-UHFFFAOYSA-N

LogP

2.1488000000000005

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

5-Chloro-2-(trifluoromethyl)pyrimidine
5-Chloro-2-trifluoromethyl-pyrimidine
Pyrimidine,5-chloro-2-(trifluoromethyl)-
5-chloro-2-trifluoromethyl-pyrimidine

MDL Number

MFCD09754045

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 5-Chloro-2-(trifluoromethyl)pyrimidine (CAS: 845618-08-8)?

5-Chloro-2-(trifluoromethyl)pyrimidine is a crystalline solid with a molecular weight of approximately 227.01 g/mol. It has a melting point of around 125-127°C. This compound is sparingly soluble in water but soluble in common organic solvents like acetonitrile and dimethylformamide. It is known for its high reactivity, particularly in nucleophilic substitution reactions.

How is 5-Chloro-2-(trifluoromethyl)pyrimidine (CAS: 845618-08-8) typically synthesized?

5-Chloro-2-(trifluoromethyl)pyrimidine is usually synthesized via the reaction of 2-chloro-5-trifluoromethylpyridine with ammonia or primary amines. The reaction typically proceeds under basic conditions, with good selectivity and moderate to high yield. Suitable solvents include toluene or other amines.

What industries use 5-Chloro-2-(trifluoromethyl)pyrimidine (CAS: 845618-08-8)?

5-Chloro-2-(trifluoromethyl)pyrimidine is primarily used in the pharmaceutical industry as an intermediate for drug synthesis. It also finds applications in the polymer industry, particularly in the synthesis of certain polymeric materials, and in the electronics sector for the development of sensor and semiconductor components.

What precautions should be taken when handling 5-Chloro-2-(trifluoromethyl)pyrimidine (CAS: 845618-08-8)?

Proper handling of 5-Chloro-2-(trifluoromethyl)pyrimidine requires the use of personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to minimize exposure to fumes. Spills should be handled by containing them with absorbent material and disposing of according to local regulations. Always consult the Material Safety Data Sheet (MSDS/SDS) for detailed safety information.