4-Bromo-6-methoxy-1H-indazole

Basic Information

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CAS Number

885520-83-2

Molecular Formula

C8H7BrN2O

Molecular Weight

227.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

360.9±22.0℃ at 760 mmHg

SMILES

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COC1=CC2=C(C=NN2)C(=C1)Br

InChI

InChI=1S/C8H7BrN2O/c1-12-5-2-7(9)6-4-10-11-8(6)3-5/h2-4H,1H3,(H,10,11)

InChIKey

OXGWZLFBKVMEGE-UHFFFAOYSA-N

LogP

2.3339999999999996

Topological Polar Surface Area

37.91 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

167

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

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

Synonyms & References

English

4-Bromo-6-methoxy-1H-indazole
4-Bromo-6-methoxyindazole
1H-Indazole,4-bromo-6-methoxy-
4-bromo-6-methoxy-1H-indazole
4-Bromo-6-methoxy-1H-indazole (ACI)
SCHEMBL2005425
4-BROMO-6-METHOXY-1H-INDAZOLE
MFCD08272208
DTXSID50646351
PB23571
885520-83-2
4-bromo-6-(methyloxy)-1H-indazole
AS-77815
CS-0036605
AKOS016002613
SY027835
1H-INDAZOLE, 4-BROMO-6-METHOXY-
OXGWZLFBKVMEGE-UHFFFAOYSA-N
P10572

MDL Number

MFCD08272208

FAQ

What are the physical and chemical properties of 4-Bromo-6-methoxy-1H-indazole (CAS: 885520-83-2)?

4-Bromo-6-methoxy-1H-indazole is a solid compound with a crystalline form. Its molecular weight is approximately 250.02 g/mol. It has moderate solubility in common organic solvents like ethanol and acetone. Chemically, it exhibits moderate reactivity towards nucleophiles and electrophiles. It is stable under normal conditions but should be stored away from strong oxidizing agents.

How is 4-Bromo-6-methoxy-1H-indazole (CAS: 885520-83-2) typically synthesized?

4-Bromo-6-methoxy-1H-indazole is typically synthesized via a bromination reaction of 4-methoxy-1H-indazole with bromine in the presence of a phase transfer catalyst. The reaction proceeds with good yield, and the product can be purified by recrystallization from ethanol. The reaction is selective and efficient under these conditions.

What industries use 4-Bromo-6-methoxy-1H-indazole (CAS: 885520-83-2)?

4-Bromo-6-methoxy-1H-indazole is used in the pharmaceutical industry for the synthesis of certain drug candidates. It is also utilized in the semiconductor industry for the fabrication of electronic devices due to its unique electronic properties. Additionally, it has potential applications in sensor development and as a precursor in polymer chemistry.

What precautions should be taken when handling 4-Bromo-6-methoxy-1H-indazole (CAS: 885520-83-2)?

When handling 4-Bromo-6-methoxy-1H-indazole, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated fume hood to minimize the risk of inhalation. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly decontaminated. Always consult the Safety Data Sheet (SDS) for detailed emergency procedures.