4-bromo-1H-indazole-6-carboxylic acid

Basic Information

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CAS Number

885523-43-3

Molecular Formula

C8H5BrN2O2

Molecular Weight

241.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

1.946

SMILES

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C1=C(C=C(C2=C1NN=C2)Br)C(=O)O

InChI

InChI=1S/C8H5BrN2O2/c9-6-1-4(8(12)13)2-7-5(6)3-10-11-7/h1-3H,(H,10,11)(H,12,13)

InChIKey

PTPANGLJLZZYNH-UHFFFAOYSA-N

LogP

2.0235999999999996

Topological Polar Surface Area

65.98 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

224

Synonyms & References

English

4-Bromo-1H-indazole-6-carboxylic acid
4-Bromo-6-(1H)indazole carboxylic acid
4-Bromo-6-(1H)-indazole carboxylic acid
4-Bromo-6-indazolecarboxylic acid
4-Bromo-6-(1H)-indazole c...
PTPANGLJLZZYNH-UHFFFAOYSA-N
RW3730
PB17465
FCH1385783
SY031282
4-bromanyl-1H-indazole-6-carboxylic acid
ST1100613
AX8229368
AB0065222
Z5270
AM20041324
A842700
4-bromo-1H-indazole-6-carboxylic acid
4-Bromo-1H-indazole-6-carboxylic acid (ACI)
MFCD07781800
DS-1994
J-514772
4-bromo-2H-indazole-6-carboxylic acid
EN300-3062487
885523-43-3
CS-W003430
DB-023392
4-BROMO-6-INDAZOLECARBOXYLIC ACID
FS-3549
AKOS015949377
4-BROMO-6-(1H)-INDAZOLE CARBOXYLIC ACID

MDL Number

MFCD07781800

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-bromo-1H-indazole-6-carboxylic acid (CAS: 885523-43-3)?

4-Bromo-1H-indazole-6-carboxylic acid is a crystalline solid with a molecular weight of approximately 256.03 g/mol. It has limited water solubility and is sparingly soluble in common organic solvents. This compound is known for its stability under normal conditions but can react with strong bases to form salts. It exhibits weak acidity due to the carboxylic acid group.

How is 4-bromo-1H-indazole-6-carboxylic acid (CAS: 885523-43-3) typically synthesized?

4-Bromo-1H-indazole-6-carboxylic acid is commonly synthesized via the bromination of indazole-6-carboxylic acid followed by a carboxylic acid condensation reaction. The key steps involve the bromination of the indazole ring, which can be achieved using N-bromosuccinimide (NBS) in an appropriate solvent. The product is purified by recrystallization from water or organic solvents.

What industries use 4-bromo-1H-indazole-6-carboxylic acid (CAS: 885523-43-3)?

4-Bromo-1H-indazole-6-carboxylic acid is primarily used in the pharmaceutical and chemical industries for the synthesis of various intermediates and drugs. It also finds applications in the development of specialized polymers, sensors, and materials for semiconductor devices due to its unique chemical properties.

What precautions should be taken when handling 4-bromo-1H-indazole-6-carboxylic acid (CAS: 885523-43-3)?

When handling 4-bromo-1H-indazole-6-carboxylic acid, it is essential to wear protective equipment including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be immediately cleaned up with appropriate absorbent material and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.