4-Chloro-7-fluoro-6-methoxy-3-quinolinecarbonitrile

Basic Information

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CAS Number

622369-40-8

Molecular Formula

C11H6ClFN2O

Molecular Weight

225.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

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

Physical State

Pale-yellow to Yellow-brown Solid

Density

1.43±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (6.9E-3 g/L) (25 ºC),

SMILES

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COc1cc2c(cc1F)ncc(c2Cl)C#N

InChI

InChI=1S/C11H6ClFN2O/c1-16-10-2-7-9(3-8(10)13)15-5-6(4-14)11(7)12/h2-3,5H,1H3

InChIKey

PNVRUIFACIJUKH-UHFFFAOYSA-N

LogP

3.3443200000000015

Topological Polar Surface Area

22.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

4-Chloro-7-fluoro-6-methoxyquinoline-3-carbonitrile
3-Quinolinecarbonitrile,4-chloro-7-fluoro-6-methoxy-
4-[(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-7-FLUORO-6-METHOXY-3-QUINOLINE
4-CHLORO-7-FLUORO-6-METHOXY-QUINOLINE-3-CARBONITRILE
4-chloro-7-fluoro-6-methoxyquinoline-3-carbonitrile

MDL Number

MFCD06796587

FAQ

What regulatory guidelines apply to 4-Chloro-7-fluoro-6-methoxy-3-quinolinecarbonitrile (CAS: 622369-40-8)?

4-Chloro-7-fluoro-6-methoxy-3-quinolinecarbonitrile (CAS: 622369-40-8) falls under the Globally Harmonized System (GHS) of Classification and Labeling of Chemicals. It is regulated under REACH in the European Union, requiring manufacturers and importers to register substances above certain tonnages. FDA and EPA guidelines may apply for its use in pharmaceuticals and pesticides, respectively. Compliance with local and national regulations is essential for handling and marketing this compound.

Are there alternatives to 4-Chloro-7-fluoro-6-methoxy-3-quinolinecarbonitrile (CAS: 622369-40-8) in synthesis?

Alternative syntheses for 4-Chloro-7-fluoro-6-methoxy-3-quinolinecarbonitrile include using isomers or analogs like 4-fluoro-7-methoxy-6-methyl-3-quinolinecarbonitrile. Common alternative reagents such as chloroformic acid and fluoroacetic acid can be used as substitutes. These alternatives may vary in reactivity and yield, making them suitable for specific applications and conditions.

What is the market or research trend for 4-Chloro-7-fluoro-6-methoxy-3-quinolinecarbonitrile (CAS: 622369-40-8)?

The market for 4-Chloro-7-fluoro-6-methoxy-3-quinolinecarbonitrile is primarily driven by its use in pharmaceutical research. Recent trends indicate increasing interest in its potential as an intermediate for synthesizing novel drugs. Research is focusing on its biological activity and potential therapeutic applications. Price trends are influenced by bulk production and demand in pharmaceutical industries.

How should waste containing 4-Chloro-7-fluoro-6-methoxy-3-quinolinecarbonitrile (CAS: 622369-40-8) be handled?

Waste containing 4-Chloro-7-fluoro-6-methoxy-3-quinolinecarbonitrile should be handled according to hazardous waste guidelines. Collect waste in appropriate containers and dispose of it through professional waste disposal services. Incineration is a common method for disposal, but it must be conducted in accordance with local regulations to minimize environmental impact. Proper environmental protection measures, such as containment and reduction of emissions, are crucial during handling and disposal.