2,4-Dichloro-7-(trifluoromethyl)quinazoline

Basic Information

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CAS Number

396-02-1

Molecular Formula

C9H3Cl2F3N2

Molecular Weight

267.04 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

Basic Physical Properties

Boiling Point

282.5±40.0 ºC (760 Torr),

Flash Point

124.7±27.3 ºC,

SMILES

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FC(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1

InChI

InChI=1S/C9H3Cl2F3N2/c10-7-5-2-1-4(9(12,13)14)3-6(5)15-8(11)16-7/h1-3H

InChIKey

PRJBXUBPUYNFQF-UHFFFAOYSA-N

LogP

3.9554

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

2,4-Dichloro-7-(trifluoromethyl)quinazoline
Quinazoline,2,4-dichloro-7-(trifluoromethyl)-
* 2,4-Dichloro-7-trifluoromethylquinazoline
2,4-Dichlor-7-trifluormethyl-chinazolin
2,4-dichloro-7-(trifluoromethyl)quinazoline

MDL Number

MFCD09954878

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2,4-Dichloro-7-(trifluoromethyl)quinazoline (CAS: 396-02-1)?

2,4-Dichloro-7-(trifluoromethyl)quinazoline (CAS: 396-02-1) is a solid crystalline compound with a molecular weight of approximately 355.02 g/mol. It has low water solubility and high solubility in organic solvents like dichloromethane and acetonitrile. This compound is chemically stable but can react with reducing agents. It is insoluble in water and soluble in common organic solvents.

How is 2,4-Dichloro-7-(trifluoromethyl)quinazoline (CAS: 396-02-1) typically synthesized?

2,4-Dichloro-7-(trifluoromethyl)quinazoline (CAS: 396-02-1) is typically synthesized through a multistep process involving chlorination and trifluoromethylation reactions. The synthesis involves the use of chlorinating agents like thionyl chloride and trifluoromethylating reagents like trifluoromethyl chloroformate. The yield is moderate to high, and the reaction conditions include careful temperature control.

What industries use 2,4-Dichloro-7-(trifluoromethyl)quinazoline (CAS: 396-02-1)?

2,4-Dichloro-7-(trifluoromethyl)quinazoline (CAS: 396-02-1) is primarily used in pharmaceuticals for the development of potential anticancer and antiviral drugs. It is also utilized in the synthesis of various organic compounds and materials, including polymers and functional molecules for sensors and semiconductors.

What precautions should be taken when handling 2,4-Dichloro-7-(trifluoromethyl)quinazoline (CAS: 396-02-1)?

When handling 2,4-Dichloro-7-(trifluoromethyl)quinazoline (CAS: 396-02-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood or a well-ventilated area. Spills should be cleaned up using appropriate absorbent materials and proper disposal procedures. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.