5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid

Basic Information

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CAS Number

438243-87-9

Molecular Formula

C10H8BrN3O2

Molecular Weight

282.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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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Nc1c(cnn1c2ccc(Br)cc2)C(=O)O

InChI

InChI=1S/C10H8BrN3O2/c11-6-1-3-7(4-2-6)14-9(12)8(5-13-14)10(15)16/h1-5H,12H2,(H,15,16)

InChIKey

LETBMJDJOXXFJY-UHFFFAOYSA-N

LogP

1.9152

Topological Polar Surface Area

81.14 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

269

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H320 Causes 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-amino-1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid
5-AMINO-1-(4-BROMO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
5-amino-1-(4-bromophenyl)pyrazole-4-carboxylic acid
GL-0959
5771AH
A924004

MDL Number

MFCD03934849

Customs Code

2933199090

FAQ

What regulatory guidelines apply to 5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid (CAS: 438243-87-9)?

5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid (CAS: 438243-87-9) is classified under GHS as a non-flammable solid with potential health hazards. It falls under REACH regulations, requiring manufacturers to conduct comprehensive toxicity and environmental impact assessments. FDA and EPA have specific requirements for its handling and disposal, including proper labeling and documentation to ensure compliance with hazardous waste regulations.

Are there alternatives to 5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid (CAS: 438243-87-9) in synthesis?

In synthesis, 5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid (CAS: 438243-87-9) can be synthesized using similar bromophenyl derivatives. Common alternatives include 5-Amino-1-(3-bromophenyl)-1H-pyrazole-4-carboxylic acid, which can be used as an effective substitute in various applications. Additionally, using isomers or analogs of the compound can offer alternative pathways in synthesis.

What is the market or research trend for 5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid (CAS: 438243-87-9)?

The market for 5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid (CAS: 438243-87-9) is steadily growing due to its applications in pharmaceuticals and agrochemicals. Recent research trends focus on its utilization in drug development, particularly as an intermediate in the synthesis of more complex compounds. Market trends indicate a rising interest in this compound, driven by its versatile properties and potential in various industries.

How should waste containing 5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid (CAS: 438243-87-9) be handled?

Waste containing 5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid (CAS: 438243-87-9) should be collected and disposed of according to hazardous waste regulations. It should be stored in sealed containers and transported by a certified hazardous waste disposal company. Incineration is a common method of disposal, but it should be conducted in a controlled and safe environment to minimize environmental impact. Proper environmental protection measures, such as the use of protective equipment and protective measures, are essential during handling and disposal to ensure safety.