5-Bromoisoquinolin-8-amine

Basic Information

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CAS Number

90721-35-0

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

Melting Point

186-190 °C

Boiling Point

370.3°C at 760 mmHg

Density

1.649

Flash Point

177.7 °C

Refractive Index

1.732

SMILES

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C1=CC(=C2C=CN=CC2=C1N)Br

InChI

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

InChIKey

BTFXYVXBWMRHIB-UHFFFAOYSA-N

LogP

2.5795000000000003

Topological Polar Surface Area

38.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

163

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

5-Bromoisoquinolin-8-ylamine
5-Bromoisoquinolin-8-amine
5-Bromo-8-aminoquinoline
5-Bromo-isoquinolin-8-ylamine
8-Amino-5-bromoisoquinoline
5-Bromo-8-isoquinolinamine
5-Bromo-8-isoquinolineamine
8-ISOQUINOLINAMINE, 5-BROMO-
PubChem20332
5- Bromoisoquinolin-8-amine
BTFXYVXBWMRHIB-UHFFFAOYSA-N
8-AMINO-5-BROMISOQUINOLINE
EBD24052
5-BROMO-8-AMINOISOQUINOLINE
BCP01514
5-Bromo-8-isoquinolinamine (ACI)
Isoquinoline, 8-amino-5-bromo- (7CI)
5-bromoisoquinolin-8-amine
MFCD09261047
AB50046
8-Amino-5-bromoisoquinoline, 90%
CS-0037082
AKOS005256533
BDBM50578093
DTXSID50584865
TS-03182
CHEMBL4848146
SCHEMBL246823
EN300-174570
90721-35-0
J-517168

MDL Number

MFCD09261047

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 5-Bromoisoquinolin-8-amine (CAS: 90721-35-0)?

5-Bromoisoquinolin-8-amine (CAS: 90721-35-0) is a crystalline solid with a molecular weight of approximately 242.04 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and methanol. This compound exhibits basic properties and reacts with acids to form salts. It is stable under normal conditions but should be protected from moisture and light.

How is 5-Bromoisoquinolin-8-amine (CAS: 90721-35-0) typically synthesized?

5-Bromoisoquinolin-8-amine (CAS: 90721-35-0) is typically synthesized by bromination of 8-aminooxazolo[5,4-d]isoquinoline followed by deamination. The reaction involves the use of bromine in the presence of a suitable catalyst, such as N,N-dimethylformamide (DMF), and is carried out under anhydrous conditions to achieve high yield and selectivity.

What industries use 5-Bromoisoquinolin-8-amine (CAS: 90721-35-0)?

5-Bromoisoquinolin-8-amine (CAS: 90721-35-0) finds applications in the pharmaceutical industry, particularly in the synthesis of drugs and intermediates. It is also used in the development of polymers for electronic applications and in the production of sensors for detecting various analytes. Its unique properties make it suitable for a range of industrial uses.

What precautions should be taken when handling 5-Bromoisoquinolin-8-amine (CAS: 90721-35-0)?

When handling 5-Bromoisoquinolin-8-amine (CAS: 90721-35-0), it is essential to use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work must be conducted in a well-ventilated area or a fume hood to prevent inhalation of bromine fumes. Spills should be immediately cleaned up with the appropriate absorbent material, and proper disposal methods should be followed. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency information.