8-Bromoisoquinolin-1-amine

Basic Information

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CAS Number

1337879-85-2

Molecular Formula

C9H7BrN2

Molecular Weight

223.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

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=CC2=C(C(=C1)Br)C(=NC=C2)N

InChI

InChI=1S/C9H7BrN2/c10-7-3-1-2-6-4-5-12-9(11)8(6)7/h1-5H,(H2,11,12)

InChIKey

VEHRKMAFAWPXEB-UHFFFAOYSA-N

LogP

2.5794999999999995

Topological Polar Surface Area

38.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

163

Synonyms & References

English

8-bromoisoquinolin-1-amine
DB-170474
8-Bromoisoquinolin-1-amine
SCHEMBL24329216
CS-0313714
8-Bromo-1-isoquinolinamine
AKOS023773043
A921158
8-Bromoisoquinolin-1-amine, 1-Amino-8-bromo-2-azanaphthalene
PS-11596
MFCD21365093
D79731
1-Amino-8-bromoisoquinoline
1337879-85-2

MDL Number

MFCD21365093

FAQ

What are the physical and chemical properties of 8-Bromoisoquinolin-1-amine (CAS: 1337879-85-2)?

8-Bromoisoquinolin-1-amine is a white crystalline solid with a molecular weight of approximately 219.14 g/mol. It is slightly soluble in water and ethanol. Chemically, it is highly reactive, particularly with nucleophiles, and exhibits good stability under normal conditions but can undergo ring-opening reactions under basic conditions. Its reactivity makes it useful in various synthetic applications.

How is 8-Bromoisoquinolin-1-amine (CAS: 1337879-85-2) typically synthesized?

8-Bromoisoquinolin-1-amine is typically synthesized via the reaction of 8-bromoisocoumarin with hydrazine hydrate in the presence of a base like sodium hydroxide. This process yields the amine with high selectivity and moderate yield. The reaction proceeds under mild conditions, making it suitable for industrial-scale production.

What industries use 8-Bromoisoquinolin-1-amine (CAS: 1337879-85-2)?

8-Bromoisoquinolin-1-amine finds applications in pharmaceuticals, particularly as a precursor for drug synthesis. It is also used in the development of sensors for detecting specific molecules, and in the synthesis of materials for use in semiconductors and polymers due to its unique functional groups.

What precautions should be taken when handling 8-Bromoisoquinolin-1-amine (CAS: 1337879-85-2)?

When handling 8-Bromoisoquinolin-1-amine, it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety glasses, and a lab coat. Work should be conducted in a fume hood to prevent inhalation. Spills should be cleaned up using absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.