2,8-Bis(trifluoromethyl)-4-quinolinol

Basic Information

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CAS Number

35853-41-9

Molecular Formula

C11H5F6NO

Molecular Weight

281.16 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

Basic Physical Properties

Melting Point

131.0 to 135.0 deg-C

Boiling Point

238℃ at 760 mmHg

Flash Point

97.8℃

Refractive Index

1.384

SMILES

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OC1=CC(C(F)(F)F)=NC2=C(C(F)(F)F)C=CC=C12

InChI

InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)

InChIKey

JIWHKBAFGFPZKM-UHFFFAOYSA-N

LogP

3.9780000000000015

Topological Polar Surface Area

33.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

410

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2,8-Bis(trifluoromethyl)quinolin-4-ol
BUTTPARK 94\04-03
2,8-DI(TRIFLUOROMETHYL)QUINOLIN-4-OL
2,8-BIS(TRIFLUOROMETHYL)-4-QUINOLINOL
2,8-BIS-TRIFLUOROMETHYL-4-HYDROXYCHINOLE
2,8-BIS TRIFLUOROMETHYL-4-HYDROXY QUINOLEINE
2,8-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE
2,8-Bis(Trifluoromethyl)-4-Hyd
2,8-bis(trifluoromethyl)-1H-quinolin-4-one
2,5-DIMETHYLPYRROLE-3-CARBOXYLIC ACID

MDL Number

MFCD00075091

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 2,8-Bis(trifluoromethyl)-4-quinolinol (CAS: 35853-41-9)?

2,8-Bis(trifluoromethyl)-4-quinolinol is a crystalline compound with a molecular weight of approximately 344.13 g/mol. It has a low solubility in water but is more soluble in organic solvents like DMSO and THF. It is highly reactive towards nucleophiles and electrophiles. Its biodegradation is minimal, and it does not pose a significant environmental risk.

How is 2,8-Bis(trifluoromethyl)-4-quinolinol (CAS: 35853-41-9) typically synthesized?

2,8-Bis(trifluoromethyl)-4-quinolinol is generally synthesized via a multistep process, involving the alkylation of 4-quinolinol with trifluoromethyl iodide, followed by deprotonation and quenching with a base. The reaction is typically catalyzed by sodium hydride and proceeds with a yield of around 70-80%.

What industries use 2,8-Bis(trifluoromethyl)-4-quinolinol (CAS: 35853-41-9)?

2,8-Bis(trifluoromethyl)-4-quinolinol finds applications in pharmaceutical industries for its potential as a ligand in metal-based anticancer drugs. It is also utilized in the development of sensors and semiconductors due to its unique electronic properties and fluorescence characteristics.

What precautions should be taken when handling 2,8-Bis(trifluoromethyl)-4-quinolinol (CAS: 35853-41-9)?

When handling 2,8-Bis(trifluoromethyl)-4-quinolinol, use appropriate PPE including gloves, safety glasses, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation of vapors. Store it in a cool, dark place away from direct sunlight. In case of spill, use appropriate spill cleanup materials and consult the Safety Data Sheet (SDS) for further instructions.