1-Chloro-6-isoquinolinol

Basic Information

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CAS Number

850197-67-0

Molecular Formula

C9H6ClNO

Molecular Weight

179.61 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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Oc1ccc2c(Cl)nccc2c1

InChI

InChI=1S/C9H6ClNO/c10-9-8-2-1-7(12)5-6(8)3-4-11-9/h1-5,12H

InChIKey

CPEBBLYVDQQABZ-UHFFFAOYSA-N

LogP

2.5938000000000008

Topological Polar Surface Area

33.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

165

Synonyms & References

English

1-chloro-6-Isoquinolinol
1-Chloroisoquinolin-6-ol
6-Isoquinolinol, 1-chloro-
AK315073
1-chloro isoquinolin-6-ol
1-chloro-isoquinolin-6-ol
1-chloro-6-hydroxyisoquinoline
1-chloro-2H-isoquinolin-6-one
CPEBBLYVDQQABZ-UHFFFAOYSA-N
FCH1166660
1-chloroisoquinolin-6-ol

MDL Number

MFCD18254594

FAQ

What are the physical and chemical properties of 1-Chloro-6-isoquinolinol (CAS: 850197-67-0)?

1-Chloro-6-isoquinolinol (CAS: 850197-67-0) has a crystalline form and a molecular weight of approximately 223.6 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. The compound is relatively stable but can react with strong bases. Its solubility and reactivity make it useful in various synthetic applications.

How is 1-Chloro-6-isoquinolinol (CAS: 850197-67-0) typically synthesized?

1-Chloro-6-isoquinolinol (CAS: 850197-67-0) is typically synthesized via the electrophilic chlorination of 6-isoquinolinol. This process involves the use of chlorine gas in the presence of a suitable catalyst, such as iron chloride. The yield is generally good, with high selectivity for the chlorinated product.

What industries use 1-Chloro-6-isoquinolinol (CAS: 850197-67-0)?

1-Chloro-6-isoquinolinol (CAS: 850197-67-0) finds application in the pharmaceutical industry, where it serves as an intermediate for drug synthesis. It is also used in the chemical industry for the development of dyes and pigments, as well as in the synthesis of certain sensors and semiconductors.

What precautions should be taken when handling 1-Chloro-6-isoquinolinol (CAS: 850197-67-0)?

When handling 1-Chloro-6-isoquinolinol (CAS: 850197-67-0), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. Ensure the substance is handled in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up with appropriate absorbent materials and in accordance with SDS guidelines. Always refer to the Safety Data Sheet (SDS) for detailed safety information.