5-Bromo-1-chloroisoquinoline

Basic Information

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CAS Number

34551-41-2

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

SMILES

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C1=CC2=C(C=CN=C2Cl)C(=C1)Br

InChI

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

InChIKey

XUWFLTLTPVIRCV-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

DS-14859
FT-0660839
EN300-116784
SY065697
A846775
F8881-4323
5-BROMO-1-CHLOROISOQUINOLINE
1-Chloro-5-bromoisoquinoline
AB48461
MFCD08703278
5-bromo-1-chloroisoquinolin
SCHEMBL1134001
XUWFLTLTPVIRCV-UHFFFAOYSA-N
34551-41-2
Isoquinoline, 5-bromo-1-chloro-
DTXSID70611283
AM20051098
CS-D0858
AKOS001788039
5-Bromo-1-chloroisoquinoline
5-BROMO-1-CHLORO-ISOQUINOLINE
Isoquinoline,5-bromo-1-chloro-
5-Brom-1-chlorisochinolin
Isoquinoline,5-bromo-1-chloro
EBD4619
RW3526
CM10590
AB0024360
AB1010355
ST24032907
W56

MDL Number

MFCD08703278

Customs Code

2933499090

FAQ

What is 5-Bromo-1-chloroisoquinoline (CAS: 34551-41-2)?

5-Bromo-1-chloroisoquinoline (CAS: 34551-41-2) is a brominated chlorinated heterocyclic compound. It is an isoquinoline derivative with the molecular formula C9H7BrClN. This compound is colorless or white crystalline solid with a chloroisoquinoline-like odor. It dissolves in organic solvents but is poorly soluble in water.

What are the main uses of 5-Bromo-1-chloroisoquinoline (CAS: 34551-41-2)?

5-Bromo-1-chloroisoquinoline (CAS: 34551-41-2) is primarily used in the synthesis of pharmaceuticals, particularly in the development of antimalarial and antitumor drugs. It is also utilized in the production of dyes and as a reagent in organic chemistry research.

Is 5-Bromo-1-chloroisoquinoline (CAS: 34551-41-2) safe?

5-Bromo-1-chloroisoquinoline (CAS: 34551-41-2) is classified as flammable and toxic. It is important to handle this compound with appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Proper ventilation is required to prevent inhalation of fumes. It should be stored in a cool, dry place away from sources of ignition.

How should 5-Bromo-1-chloroisoquinoline (CAS: 34551-41-2) be stored?

5-Bromo-1-chloroisoquinoline (CAS: 34551-41-2) should be stored in a tightly sealed container in a cool, dry, and well-ventilated area. It should be kept away from heat, sparks, and sources of ignition. The storage temperature should be below 25°C, and it should be protected from moisture and light exposure. It is recommended to avoid contact with air and store it in a fume hood or a nitrogen-filled container.