8-(Trifluoromethyl)quinoline

Basic Information

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CAS Number

317-57-7

Molecular Formula

C10H6F3N

Molecular Weight

197.16 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

Melting Point

66 ºC

Boiling Point

244 ºC

Flash Point

101 ºC

Refractive Index

1.54

SMILES

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C1=CC2=C(C(=C1)C(F)(F)F)N=CC=C2

InChI

InChI=1S/C10H6F3N/c11-10(12,13)8-5-1-3-7-4-2-6-14-9(7)8/h1-6H

InChIKey

AJXUSUNIYLSPER-UHFFFAOYSA-N

LogP

3.2536000000000014

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

202

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AJXUSUNIYLSPER-UHFFFAOYSA-N
BS-28079
SY023309
CS-0155814
EN300-176076
FT-0678651
AMY4407
MFCD09744668
8-Trifluoromethylquinoline
SCHEMBL2569765
DTXSID20505603
AKOS005063699
SB67604
F19179
8-(Trifluoromethyl)quinoline
A26433
317-57-7
8-CF3 quinoline
8-Trifluormethyl-chinolin
8-trifluoromethyl-quinoline

MDL Number

MFCD09744668

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 8-(Trifluoromethyl)quinoline (CAS: 317-57-7)?

8-(Trifluoromethyl)quinoline (CAS: 317-57-7) is a crystalline solid with a molecular weight of approximately 252.11 g/mol. It has a solubility in water of about 0.015 g/L. Chemically, it is highly reactive and readily forms complexes with various metals. It is soluble in common organic solvents like ethanol and acetone. The compound is known for its low reactivity towards nucleophiles but exhibits higher reactivity towards electrophiles.

How is 8-(Trifluoromethyl)quinoline (CAS: 317-57-7) typically synthesized?

8-(Trifluoromethyl)quinoline (CAS: 317-57-7) is typically synthesized through a condensation reaction of 2-chloroquinoline with trifluoromethyl ketone in the presence of a base like potassium carbonate. The reaction proceeds via an intramolecular Friedel-Crafts alkylation followed by a rearrangement step. Yields are generally high, and the process can be optimized using microwave heating to enhance reactivity and selectivity.

What industries use 8-(Trifluoromethyl)quinoline (CAS: 317-57-7)?

8-(Trifluoromethyl)quinoline (CAS: 317-57-7) is used in various industries including pharmaceuticals, where it serves as a precursor for synthesizing active pharmaceutical ingredients. It is also utilized in the development of sensors and semiconductors due to its unique electronic properties. Additionally, it finds applications in the polymer industry for the production of functional polymers with enhanced stability and performance.

What precautions should be taken when handling 8-(Trifluoromethyl)quinoline (CAS: 317-57-7)?

When handling 8-(Trifluoromethyl)quinoline (CAS: 317-57-7), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated environment or a fume hood to minimize inhalation risks. Spills should be handled carefully by sweeping into a container and disposing of it according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling and disposal guidelines.