1-Bromoisoquinoline

Basic Information

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CAS Number

1532-71-4

Molecular Formula

C9H6BrN

Molecular Weight

208.06 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

White to Yellow Solid

Melting Point

43-47 °C

Boiling Point

316.3°Cat760mmHg

Density

1.564

Flash Point

145.1°C

Refractive Index

1.673

SMILES

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C1=CC=C2C(=C1)C=CN=C2Br

InChI

InChI=1S/C9H6BrN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H

InChIKey

YWWZASFPWWPUBN-UHFFFAOYSA-N

LogP

2.997300000000001

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

138

Safety Information

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GHS Hazard Pictograms

H301

H318

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

Synonyms & References

English

O,O-DI-TERT-BUTYLSTILBAZOLIUMBETAINE
1-bromoisoquinoline
B3445
SY047843
AB92161
FT-0630247
isoquinoline, 1-bromo-
1-Bromoisoquinoline, 95%
1-Bromo-isoquinoline
AKOS005256732
bromoisoquinoline
A934027
AC-1444
MFCD00234478
1532-71-4
SCHEMBL248635
EN300-103382
InChI=1/C9H6BrN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6
YWWZASFPWWPUBN-UHFFFAOYSA-N
AM20050831
CS-D0174
PS-5540
DTXSID20348830
J-504467
AC-907/25004857
1-Bromoisoquinoline
1-Bromisochinolin
1--bromoisoquinoline
2-bromoisoquinoline
isoquinoline,1-bromo
Isoquinoline, 1-broMo-

MDL Number

MFCD00234478

Customs Code

2933499090

FAQ

What is 1-Bromoisoquinoline (CAS: 1532-71-4)?

1-Bromoisoquinoline (CAS: 1532-71-4) is an aromatic organic compound with the molecular formula C9H7BrN. It is a yellow or orange solid with a distinctive odor. This compound is used in various applications such as pharmaceuticals and the synthesis of other organic compounds.

What are the main uses of 1-Bromoisoquinoline (CAS: 1532-71-4)?

1-Bromoisoquinoline (CAS: 1532-71-4) is primarily used in organic synthesis, pharmaceuticals, and research. It serves as a precursor in the synthesis of other complex organic molecules, and has applications in the development of new drugs and materials.

Is 1-Bromoisoquinoline (CAS: 1532-71-4) safe?

1-Bromoisoquinoline (CAS: 1532-71-4) is generally safe when handled with proper precautions. However, it is a hazardous chemical that should be stored and used in a well-ventilated area and with appropriate personal protective equipment (PPE). Handling should be done with care to avoid skin contact and inhalation.

How should 1-Bromoisoquinoline (CAS: 1532-71-4) be stored?

1-Bromoisoquinoline (CAS: 1532-71-4) should be stored in a cool, dry place away from direct sunlight and heat sources. Containers should be tightly sealed to prevent moisture absorption. It should be stored in a well-ventilated area and away from incompatible materials. Proper disposal methods should be followed according to local regulations.