4-(4-bromophenyl)-1H-pyrazol-3-amine

Basic Information

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CAS Number

57999-08-3

Molecular Formula

C9H8BrN3

Molecular Weight

238.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

164-169 °C

SMILES

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C1=CC(=CC=C1C2=C(NN=C2)N)Br

InChI

InChI=1S/C9H8BrN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)

InChIKey

ABKUXQSVMWMABM-UHFFFAOYSA-N

LogP

2.4214

Topological Polar Surface Area

54.7 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

168

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

Synonyms & References

English

4-(4-Bromophenyl)-1H-pyrazol-5-amine
4-(4-BROMOPHENYL)-1H-PYRAZOLE-5-AMINE
3-amino-4-(4-bromophenyl)pyrazole
4-(4-bromo-phenoxy)-phenol
4-(4-bromo-phenyl)-1(2)H-pyrazol-3-ylamine
4-(4-BroMophenyl)-2H-pyrazol-3-aMine
4-(4-Brom-phenoxy)-phenol
4'-Brom-4-oxy-diphenylaether
4-Bromphenyl-4-hydroxyphenylether
4-hydroxy-4'-bromodiphenyl ether
Hydrochinonmono-(4-brom-phenyl)-aether
Phenol,4-(4-bromophenoxy)
4-(4-Bromophenyl)-1,2-dihydro-3H-pyrazol-3-imine
40545-64-0
MFCD06825380
4-(4-bromophenyl)-1H-pyrazol-3-amine
57999-08-3
BBL021937
4-(4-Bromophenyl)-1H-pyrazol-3-amine, AldrichCPR
8SS
AKOS005143705
DTXSID40960957
1H-Pyrazol-3-amine, 4-(4-bromophenyl)-
CS-0205249
DB-339707
A869546
AKOS025394760
MFCD03618446
4-(4-Bromophenyl)-2H-pyrazol-3-amine
FS-2073
EN300-742290

MDL Number

MFCD03618446

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 4-(4-bromophenyl)-1H-pyrazol-3-amine (CAS: 57999-08-3)?

4-(4-Bromophenyl)-1H-pyrazol-3-amine (CAS: 57999-08-3) is a white crystalline solid with a molecular weight of approximately 263.04 g/mol. It has a low solubility in water but is more soluble in organic solvents. It is mildly reactive towards nucleophiles and can form complexes with various metals. This compound is often used in medicinal chemistry and material science applications.

How is 4-(4-bromophenyl)-1H-pyrazol-3-amine (CAS: 57999-08-3) typically synthesized?

4-(4-Bromophenyl)-1H-pyrazol-3-amine is typically synthesized via a multistep process starting from bromobenzene. The reaction involves the condensation of bromobenzene with an appropriate amine followed by further transformations. Common methods include palladium-catalyzed cross-coupling reactions and aminolysis. Yields are generally moderate to good, and selectivity is high.

What industries use 4-(4-bromophenyl)-1H-pyrazol-3-amine (CAS: 57999-08-3)?

4-(4-Bromophenyl)-1H-pyrazol-3-amine (CAS: 57999-08-3) is used in pharmaceuticals for the development of novel drugs, particularly in immunomodulatory and antiviral therapies. It is also utilized in materials science for the synthesis of advanced polymers and sensors due to its unique chemical properties.

What precautions should be taken when handling 4-(4-bromophenyl)-1H-pyrazol-3-amine (CAS: 57999-08-3)?

Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat should be worn when handling 4-(4-bromophenyl)-1H-pyrazol-3-amine (CAS: 57999-08-3). Work should be conducted in a well-ventilated fume hood to avoid inhalation. Spills should be cleaned up immediately using appropriate absorbent materials, and disposal should follow local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.