5,7-Dichloroisoquinoline

Basic Information

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CAS Number

73075-58-8

Molecular Formula

C9H5Cl2N

Molecular Weight

198.05 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

SMILES

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C1=CN=CC2=C1C(=CC(=C2)Cl)Cl

InChI

1S/C9H5Cl2N/c10-7-3-6-5-12-2-1-8(6)9(11)4-7/h1-5H

InChIKey

LRTAHCUSBZEOBO-UHFFFAOYSA-N

LogP

3.5416000000000016

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

163

Synonyms & References

English

5,7-dichloroisoquinoline
5,7-dichloro-isoquinoline
Isoquinoline, 5,7-dichloro-
SY078727
A918316
EN300-211728
MFCD22097475
HS-9052
SCHEMBL2243252
LRTAHCUSBZEOBO-UHFFFAOYSA-N
AKOS022880255
73075-58-8
DB-212963

MDL Number

MFCD22097475

FAQ

What are the physical and chemical properties of 5,7-Dichloroisoquinoline (CAS: 73075-58-8)?

5,7-Dichloroisoquinoline is a crystalline compound with a molecular weight of approximately 229.01 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. Chemically, it is less reactive compared to some other aromatic compounds, making it suitable for various synthetic applications. Its stability and reactivity make it useful in organic synthesis and as a precursor in the development of drug candidates.

How is 5,7-Dichloroisoquinoline (CAS: 73075-58-8) typically synthesized?

5,7-Dichloroisoquinoline is typically synthesized via condensation reactions, such as the Claisen condensation of 7-chloroisoquinoline with acetyl chlorides. The reaction is carried out in the presence of a base like triethylamine, and the use of appropriate catalysts can improve yield and selectivity. The process requires careful temperature control to ensure product formation and minimize side reactions.

What industries use 5,7-Dichloroisoquinoline (CAS: 73075-58-8)?

5,7-Dichloroisoquinoline is used in the pharmaceutical industry as a precursor for synthesizing bioactive compounds. It also finds applications in the polymer industry for developing certain types of plastics and resins. Additionally, it is used in the sensor industry for its ability to detect specific chemical species, and in the semiconductor industry for its use in organic light-emitting diodes (OLEDs).

What precautions should be taken when handling 5,7-Dichloroisoquinoline (CAS: 73075-58-8)?

When handling 5,7-Dichloroisoquinoline, appropriate personal protective equipment (PPE) should be worn, including gloves, safety glasses, and a lab coat. It should be stored in a well-ventilated area away from direct sunlight and heat sources. In case of a spill, it should be handled carefully, and an emergency response plan should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.