2,3,6-Trichloro-5-(trifluoromethyl)pyridine

Basic Information

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CAS Number

80289-91-4

Molecular Formula

C6HCl3F3N

Molecular Weight

250.43 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

SMILES

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C1=C(C(=NC(=C1Cl)Cl)Cl)C(F)(F)F

InChI

InChI=1S/C6HCl3F3N/c7-3-1-2(6(10,11)12)4(8)13-5(3)9/h1H

InChIKey

ZJNBCPFIEDYDFH-UHFFFAOYSA-N

LogP

4.0606

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

187

Synonyms & References

English

CS-0163289
AS-78444
80289-91-4
SCHEMBL675996
FT-0751202
EN300-222183
2,3,6-Trichloro-5-trifluoromethylpyridine
D97481
AKOS015891982
DTXSID30375298
MFCD00042390
2,3,6-trichloro-5-(trifluoromethyl)pyridine
2,5,6-TRICHLORO-3-TRIFLUOROMETHYLPYRIDINE
2,3,6-Trichloro-5-trifluoromethyl-pyridine
2,3,6-Trichloro-5-(trifluoromethyl)pyridine
2,5,6-Trichloro-3-trifluoromethylpyridine

MDL Number

MFCD00042390

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2,3,6-Trichloro-5-(trifluoromethyl)pyridine (CAS: 80289-91-4)?

2,3,6-Trichloro-5-(trifluoromethyl)pyridine is a crystalline solid with a molecular weight of approximately 308.03 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. The compound is moderately reactive, particularly towards nucleophilic reagents.

How is 2,3,6-Trichloro-5-(trifluoromethyl)pyridine (CAS: 80289-91-4) typically synthesized?

2,3,6-Trichloro-5-(trifluoromethyl)pyridine is commonly synthesized via electrophilic aromatic substitution. The reaction involves chlorination and trifluoromethylation of pyridine using appropriate reagents. Catalysts such as PCC (Pyridinium chlorochromate) are often used to achieve high selectivity and yield.

What industries use 2,3,6-Trichloro-5-(trifluoromethyl)pyridine (CAS: 80289-91-4)?

2,3,6-Trichloro-5-(trifluoromethyl)pyridine is used in various industries, including pharmaceuticals for the synthesis of certain drug candidates, and in the polymer and semiconductor industries for the development of functional materials and sensors.

What precautions should be taken when handling 2,3,6-Trichloro-5-(trifluoromethyl)pyridine (CAS: 80289-91-4)?

When handling 2,3,6-Trichloro-5-(trifluoromethyl)pyridine, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.