2-(Trifluoromethyl)-4-quinolinecarbaldehyde

Basic Information

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CAS Number

78946-17-5

Molecular Formula

C11H6F3NO

Molecular Weight

225.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

288.6±35.0 ºC (760 Torr),

Density

1.390±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

128.3±25.9 ºC,

SMILES

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C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)C=O

InChI

InChI=1S/C11H6F3NO/c12-11(13,14)10-5-7(6-16)8-3-1-2-4-9(8)15-10/h1-6H

InChIKey

YORNOUOCXCQZJB-UHFFFAOYSA-N

LogP

3.0661000000000014

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

266

Synonyms & References

English

2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBALDEHYDE 97%
W17806
SB71589
DTXSID20456646
2-(trifluoromethyl)-quinoline-4-carbaldehyde
MFCD08690742
AKOS016005253
SCHEMBL8439837
AS-65873
2-(trifluoromethyl)quinoline-4-carbaldehyde
YORNOUOCXCQZJB-UHFFFAOYSA-N
SY021719
78946-17-5
CS-0060573
2-(trifluoromethyl)-4-quinolinecarbaldehyde
AC-28130
2-(Trifluoromethyl)quinoline-4-carboxaldehyde
2-(Trifluoromethyl)quinoline-4-carbaldehyde
2-(trifluoroMethyl)quinoline-4-carbaldeyhde
2-trifluoromethyl-4-quinolinecarboxaldehyde
AK102807
ANW-65381
CTK8C0865
KB-224700

MDL Number

MFCD08690742

FAQ

What regulatory guidelines apply to 2-(Trifluoromethyl)-4-quinolinecarbaldehyde (CAS: 78946-17-5)?

2-(Trifluoromethyl)-4-quinolinecarbaldehyde (CAS: 78946-17-5) falls under the purview of several regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it may be classified as a category 2 sensitiser. In the European Union, it is subject to the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulation, which requires manufacturers to provide comprehensive safety data sheets (SDS) and conduct risk assessments. The U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) also regulate its use, particularly in pharmaceuticals and environmental releases, respectively.

Are there alternatives to 2-(Trifluoromethyl)-4-quinolinecarbaldehyde (CAS: 78946-17-5) in synthesis?

When synthesizing compounds similar to 2-(Trifluoromethyl)-4-quinolinecarbaldehyde (CAS: 78946-17-5), chemists often explore alternatives such as 2-chloro-4-quinolinecarbaldehyde or 2-iodo-4-quinolinecarbaldehyde. These alternatives can serve as functional equivalents in certain applications, offering similar reactivity but with potentially different handling characteristics and regulatory considerations.

What is the market or research trend for 2-(Trifluoromethyl)-4-quinolinecarbaldehyde (CAS: 78946-17-5)?

The market for 2-(Trifluoromethyl)-4-quinolinecarbaldehyde (CAS: 78946-17-5) is driven by its application in pharmaceuticals, particularly as an intermediate in the synthesis of bioactive molecules. Research trends focus on its use in medicinal chemistry, where it is often explored for its antimicrobial and anti-inflammatory properties. Market demand is expected to grow as new applications are discovered, but this is contingent on regulatory approvals and cost-effectiveness.

How should waste containing 2-(Trifluoromethyl)-4-quinolinecarbaldehyde (CAS: 78946-17-5) be handled?

Handling waste containing 2-(Trifluoromethyl)-4-quinolinecarbaldehyde (CAS: 78946-17-5) requires adherence to strict environmental protection protocols. Waste should be collected in appropriate containers and stored separately until disposal. For incineration, ensure that the process meets all local and national emission standards. Alternatively, professional waste disposal services can manage the waste, ensuring it is treated in an environmentally responsible manner. Always consult the latest safety data sheets and local regulations for specific guidance.