4-Bromo-6-methyl-1H-indazole

Basic Information

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CAS Number

885521-94-8

Molecular Formula

C8H7BrN2

Molecular Weight

211.06 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

Boiling Point

346.2℃ at 760 mmHg

SMILES

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CC1=CC2=C(C=NN2)C(=C1)Br

InChI

InChI=1S/C8H7BrN2/c1-5-2-7(9)6-4-10-11-8(6)3-5/h2-4H,1H3,(H,10,11)

InChIKey

WVLOLHQWIPXVBQ-UHFFFAOYSA-N

LogP

2.633820000000001

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

151

Synonyms & References

English

4-Bromo-6-methyl-1H-indazole
1H-Indazole,4-bromo-6-methyl-
4-Bromo-6-methyl(1H)indazole
4-Bromo-6-methyl-1H-indazole (ACI)
SCHEMBL25592249
SY031144
DB-077987
PS-4999
SB13457
J-514782
MFCD07781508
DTXSID90646496
SCHEMBL2007139
WVLOLHQWIPXVBQ-UHFFFAOYSA-N
AKOS016003420
CS-0054368
885521-94-8

MDL Number

MFCD07781508

FAQ

What are the physical and chemical properties of 4-Bromo-6-methyl-1H-indazole (CAS: 885521-94-8)?

4-Bromo-6-methyl-1H-indazole is a crystalline solid with a molecular weight of approximately 229.04 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. Chemically, it exhibits moderate reactivity, especially towards nucleophiles, and can form stable complexes with metal ions.

How is 4-Bromo-6-methyl-1H-indazole (CAS: 885521-94-8) typically synthesized?

4-Bromo-6-methyl-1H-indazole can be synthesized via a bromination reaction of 6-methyl-1H-indazole. The bromination is typically catalyzed by N-bromosuccinimide (NBS) in the presence of an organic solvent such as chloroform. The reaction yields a high purity product with good selectivity and yield.

What industries use 4-Bromo-6-methyl-1H-indazole (CAS: 885521-94-8)?

4-Bromo-6-methyl-1H-indazole finds applications in the pharmaceutical and chemical industries, particularly in the synthesis of intermediates for drug development. It is also used in the preparation of functional materials for sensors and semiconductors.

What precautions should be taken when handling 4-Bromo-6-methyl-1H-indazole (CAS: 885521-94-8)?

When handling 4-Bromo-6-methyl-1H-indazole, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and ignition sources. In case of a spill, it should be carefully cleaned up using appropriate procedures, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific safety instructions.