3-Chloroisoquinolin-4-OL

Basic Information

View in Editor

CAS Number

101774-33-8

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

Physical State

Yellow to Brown Solid

SMILES

View in Editor

C1=CC=C2C(=C1)C=NC(=C2O)Cl

InChI

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

InChIKey

HLMAYSDUIAOBQE-UHFFFAOYSA-N

LogP

2.5938000000000008

Topological Polar Surface Area

33.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

165

Safety Information

View Safety Information

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

Synonyms & References

English

3-chloroisoquinolin-4-ol
3-Chloro-4-isoquinolinol
4-Isoquinolinol, 3-chloro-
3-CHLORO-4-HYDROXYISOQUINOLINE
101774-33-8
BEA77433
3-CHLOROISOQUINOLIN-4-OL
DTXSID30697447
CS-0200037
MFCD11846288
DB-357049
A925668
3-chloro-4-hydroxyisoquinoline
CL1036
BS-19119

MDL Number

MFCD11846288

FAQ

What are the physical and chemical properties of 3-Chloroisoquinolin-4-ol (CAS: 101774-33-8)?

3-Chloroisoquinolin-4-ol (CAS: 101774-33-8) is a white crystalline solid with a molecular weight of 202.59 g/mol. It has a solubility of 0.03 g/L in water and is slightly soluble in ethanol. It is moderately reactive with bases and oxidizing agents. This compound is used in various organic synthesis reactions and as an intermediate in the pharmaceutical industry.

How is 3-Chloroisoquinolin-4-ol (CAS: 101774-33-8) typically synthesized?

3-Chloroisoquinolin-4-ol (CAS: 101774-33-8) can be synthesized by the reduction of 3-chloroisochinoline-4-one with a reducing agent like sodium borohydride in an alcohol solvent. The reaction is typically carried out at room temperature and provides a yield of around 70-80%. This method involves the use of hazardous chemicals, so proper safety precautions are necessary.

What industries use 3-Chloroisoquinolin-4-ol (CAS: 101774-33-8)?

3-Chloroisoquinolin-4-ol (CAS: 101774-33-8) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various bioactive compounds. It is also used in the development of new drugs and in the production of certain polymers and sensors.

What precautions should be taken when handling 3-Chloroisoquinolin-4-ol (CAS: 101774-33-8)?

When handling 3-Chloroisoquinolin-4-ol (CAS: 101774-33-8), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be performed in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and waste should be disposed of in accordance with local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.