4,6-Dichlorocinnoline

Basic Information

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CAS Number

68211-13-2

Molecular Formula

C8H4Cl2N2

Molecular Weight

199.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

325.1±45.0℃/760mmHg

Density

1.486

SMILES

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C1=CC2=C(C=C1Cl)C(=CN=N2)Cl

InChI

InChI=1S/C8H4Cl2N2/c9-5-1-2-8-6(3-5)7(10)4-11-12-8/h1-4H

InChIKey

JODYTPOPHDEHOP-UHFFFAOYSA-N

LogP

2.936600000000001

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

165

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

A867099
68211-13-2
SB38309
4,6-dichloro-cinnoline
JODYTPOPHDEHOP-UHFFFAOYSA-N
E79723
4,6-Dichlorocinnoline
SCHEMBL6096600

MDL Number

MFCD27996597

FAQ

What regulatory guidelines apply to 4,6-Dichlorocinnoline (CAS: 68211-13-2)?

4,6-Dichlorocinnoline (CAS: 68211-13-2) is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a toxic and reactive substance. In Europe, it falls under REACH regulations requiring notification and registration. FDA and EPA may require specific labeling and handling guidelines based on its use in pharmaceuticals and pesticides. For safety and compliance, consult the latest regulatory documents and MSDS.

Are there alternatives to 4,6-Dichlorocinnoline (CAS: 68211-13-2) in synthesis?

Alternatives to 4,6-Dichlorocinnoline (CAS: 68211-13-2) in synthesis include 4-chlorocinnoline and 6-chlorocinnoline, which can serve as precursors. Other common reagents like 2-chloroisonicotinic acid can be used as substitutes. Researchers often explore isomers and analogs to find the most suitable compound for specific applications, optimizing both reactivity and yield.

What is the market or research trend for 4,6-Dichlorocinnoline (CAS: 68211-13-2)?

The market for 4,6-Dichlorocinnoline (CAS: 68211-13-2) shows steady growth due to its application in pharmaceuticals and agrochemicals. Research trends focus on its use in drug discovery, particularly in antitumor and antimicrobial research. Price trends indicate a moderate increase due to its specialized use. Emerging research is exploring its potential in novel chemical synthesis and medicinal chemistry.

How should waste containing 4,6-Dichlorocinnoline (CAS: 68211-13-2) be handled?

Waste containing 4,6-Dichlorocinnoline (CAS: 68211-13-2) should be properly collected in sealed, labeled containers to prevent leakage. Incineration is recommended for disposal, but ensure compliance with local regulations. Hazardous waste treatment facilities can provide professional disposal services. Always follow environmental and safety guidelines for handling and disposing of this toxic substance to minimize environmental impact.