7-Bromo-1H-indazole-3-carboxylic acid

Basic Information

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CAS Number

885278-71-7

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

SMILES

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C1=CC2=C(NN=C2C(=C1)Br)C(=O)O

InChI

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

InChIKey

HJSGTNVPWFFHOJ-UHFFFAOYSA-N

LogP

2.0236

Topological Polar Surface Area

65.97999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

224

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

7-Bromo-1H-indazole-3-carboxylic acid
1H-INDAZOLE-3-CARBOXYLIC ACID,7-BROMO-
7-bromo-2H-indazole-3-carboxylic acid
PB29428
SB20227
FCH1382929
1H-Indazole-3-carboxylicacid, 7-bromo-
1h-indazole-3-carboxylic acid,6-hydroxy-
ST2419023
AX8026598
AB0027284
W9101
7-bromo-1H-indazole-3-carboxylic acid
7-Bromo-1H-indazole-3-carboxylic acid (ACI)
7-BROMO-1H-INDAZOLE-3-CARBOXYLICACID
FS-2995
7-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID
J-519105
885278-71-7
MFCD07371559
SCHEMBL17031915
SY110745
EN300-385179
DTXSID40652946
DB-077769
AKOS015834732
7-Bromoindazole-3-carboxylic Acid

MDL Number

MFCD07371559

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 7-Bromo-1H-indazole-3-carboxylic acid (CAS: 885278-71-7)?

7-Bromo-1H-indazole-3-carboxylic acid is a crystalline solid with a molecular weight of 267.04 g/mol. It has a low solubility in water (0.01 g/100 mL at 20°C) and is more soluble in organic solvents like methanol and acetonitrile. The compound shows moderate reactivity under basic conditions and is relatively stable under acidic conditions. It is known for its poor solubility and weak basicity.

How is 7-Bromo-1H-indazole-3-carboxylic acid (CAS: 885278-71-7) typically synthesized?

7-Bromo-1H-indazole-3-carboxylic acid is typically synthesized through a bromination reaction of 1H-indazole-3-carboxylic acid or its derivates. This process involves the use of a brominating agent like N-bromosuccinimide (NBS) in the presence of a suitable catalyst such as azobisisobutyronitrile (AIBN) under UV light. The yield is moderate, and the method is selective for the bromination at the indazole ring.

What industries use 7-Bromo-1H-indazole-3-carboxylic acid (CAS: 885278-71-7)?

7-Bromo-1H-indazole-3-carboxylic acid is used in various industries, including pharmaceuticals, where it serves as an intermediate for the synthesis of drugs with potential therapeutic applications. It also finds use in the polymer industry for the development of new materials and in the sensor industry for the fabrication of chemical sensors. Additionally, it is explored in the semiconductor industry for specific applications.

What precautions should be taken when handling 7-Bromo-1H-indazole-3-carboxylic acid (CAS: 885278-71-7)?

When handling 7-Bromo-1H-indazole-3-carboxylic acid, it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up carefully, and the area should be properly decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed guidelines and emergency procedures.