6-Bromo-1-chloroisoquinoline

Basic Information

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CAS Number

205055-63-6

Molecular Formula

C9H5BrClN

Molecular Weight

242.5 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

349.5°C at 760 mmHg

Flash Point

165.17℃

Refractive Index

1.68

SMILES

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Clc1nccc2cc(Br)ccc12

InChI

InChI=1S/C9H5BrClN/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H

InChIKey

VOAHGGQULSSGQW-UHFFFAOYSA-N

LogP

3.6507000000000014

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

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

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

6-Bromo-1-chloroisoquinoline
6-BROMO-1-CHLORO-ISOQUINOLINE
1-Chloro-6-bromoisoquinoline
1-chloro -6-broMideisoquinoline
6-Bromo-1-chloroisoquinoline 1-Chloro-6-bromoisoquinoline
Isoquinoline, 6-bromo-1-chloro-
1-chloro-6-bromo-isoquinoline
Isoquinoline,6-bromo-1-chloro
PubChem23144
Isoquinoline,6-bromo-1-chloro-
VOAHGGQULSSGQW-UHFFFAOYSA-N
BCP26583
STL555869
BBL102070
AB27582
TRA0075969
RP05910
SY007683
6-bromo-1-chloroisoquinoline

MDL Number

MFCD06738661

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 6-Bromo-1-chloroisoquinoline (CAS: 205055-63-6)?

6-Bromo-1-chloroisoquinoline is a crystalline solid with a molecular weight of approximately 234.03 g/mol. It is slightly soluble in water but more soluble in organic solvents like methanol and ethanol. Chemically, it is reactive towards nucleophiles and electrophiles, making it useful for various synthetic transformations.

How is 6-Bromo-1-chloroisoquinoline (CAS: 205055-63-6) typically synthesized?

6-Bromo-1-chloroisoquinoline is typically synthesized through the bromination of 1-chloroisocinoline followed by hydrogenation of the resulting bromoisoquinoline. Commonly used catalysts include palladium-based catalysts, and the overall yield can range from 70% to 80% depending on the reaction conditions.

What industries use 6-Bromo-1-chloroisoquinoline (CAS: 205055-63-6)?

6-Bromo-1-chloroisoquinoline is primarily used in the pharmaceutical industry for the synthesis of various bioactive compounds. It is also utilized in the chemical industry for the development of new materials and sensors. Its properties make it a valuable reagent in academic and industrial research.

What precautions should be taken when handling 6-Bromo-1-chloroisoquinoline (CAS: 205055-63-6)?

When handling 6-Bromo-1-chloroisoquinoline, it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. The compound should be stored in a closed container in a cool, dry place. In case of a spill, use a fume hood to handle the cleanup and refer to the Safety Data Sheet (SDS) for specific instructions.