5-Bromo-1H-pyrazole-3-carboxylic acid

Basic Information

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CAS Number

1328893-16-8

Molecular Formula

C4H3BrN2O2

Molecular Weight

190.98 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

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OC(=O)c1cc(Br)[nH]n1

InChI

InChI=1S/C4H3BrN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)

InChIKey

OOKGNGYUNBYGEL-UHFFFAOYSA-N

LogP

0.8703999999999998

Topological Polar Surface Area

65.97999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

130

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

5-Bromo-1H-pyrazole-3-carboxylic acid
3-Bromo-1H-pyrazole-5-carboxylic acid
5-Bromopyrazole-3-carboxylic Acid
6022AA
NE37921
SB12340
SY036625
AK128451
1H-Pyrazole-3-carboxylic acid, 5-bromo-
ST2406084
AB0069909
Z2216720860
3-bromo-1H-pyrazole-5-carboxylic acid

MDL Number

MFCD21605341

FAQ

What is 5-Bromo-1H-pyrazole-3-carboxylic acid (CAS: 1328893-16-8)?

5-Bromo-1H-pyrazole-3-carboxylic acid is an organic compound with the CAS number 1328893-16-8. It has a molecular formula of C5H4BrNO2 and is known for its aromatic and carboxylic acid functionalities. This compound is commonly used in pharmaceuticals and research due to its structural characteristics and reactivity.

What are the main uses of 5-Bromo-1H-pyrazole-3-carboxylic acid (CAS: 1328893-16-8)?

5-Bromo-1H-pyrazole-3-carboxylic acid is primarily used in pharmaceuticals for the synthesis of various drug candidates. It is also utilized in research for developing new chemical entities and as a building block in organic synthesis. Additionally, it has applications in materials science for the creation of novel materials with specific properties.

Is 5-Bromo-1H-pyrazole-3-carboxylic acid (CAS: 1328893-16-8) safe?

5-Bromo-1H-pyrazole-3-carboxylic acid is generally safe when handled with appropriate precautions. It is important to wear protective gloves, goggles, and a lab coat to prevent skin and eye contact. Ensure proper ventilation and handle in a well-ventilated area or a fume hood. The compound should be stored away from heat and direct sunlight.

How should 5-Bromo-1H-pyrazole-3-carboxylic acid (CAS: 1328893-16-8) be stored?

5-Bromo-1H-pyrazole-3-carboxylic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent moisture absorption. Store it in a well-ventilated area and avoid contact with incompatible materials such as strong acids or bases. Refer to the material safety data sheet (MSDS) for detailed storage recommendations.