5-(4-Chlorophenyl)-1H-pyrazole

Basic Information

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CAS Number

59843-58-2

Molecular Formula

C9H7ClN2

Molecular Weight

178.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

100-104 °C

Boiling Point

154 °C

Density

1.2454 (rough estimate)

Flash Point

206.9 °C

Refractive Index

1.5500 (estimate)

SMILES

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C1=CC(=CC=C1C2=CC=NN2)Cl

InChI

InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)

InChIKey

HLCXWJKNVWWWOF-UHFFFAOYSA-N

LogP

2.7301

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

144

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

Synonyms & References

English

BRD-K11428951-001-01-2
SCHEMBL482367
Maybridge4_004031
3-(4-Chlorophenyl)-1H-pyrazole, 97%
AM-814/41090667
HLCXWJKNVWWWOF-UHFFFAOYSA-N
MFCD00111881
3-(4-chlorophenyl)-1H-pyrazole
AKOS000345351
FT-0613651
1H-Pyrazole, 3-(4-chlorophenyl)-
5-(4-chlorophenyl)-1H-pyrazole
SMR000310183
SR-01000635530-1
HMS2698M05
DTXSID90351932
SY014842
MLS000660664
CCG-45781
3-(4-Chlorophenyl)Pyrazole
EN300-302460
AB00612064-08
59843-58-2
FS-1105
IDI1_032853
NCGC00342562-01
5-(4-chloro-phenyl)-1H-pyrazole
CHEMBL1549024
HMS1532H05
CS-0126523
AKOS002675414

MDL Number

MFCD00111881

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 5-(4-Chlorophenyl)-1H-pyrazole (CAS: 59843-58-2)?

5-(4-Chlorophenyl)-1H-pyrazole is a crystalline solid with a molecular weight of approximately 211.02 g/mol. It has a melting point of 190-191°C and is slightly soluble in water. This compound shows moderate reactivity, particularly towards nucleophilic substitution reactions.

How is 5-(4-Chlorophenyl)-1H-pyrazole (CAS: 59843-58-2) typically synthesized?

5-(4-Chlorophenyl)-1H-pyrazole is commonly synthesized via the reaction of 4-chlorobenzaldehyde with hydrazine hydrate followed by acetylation with acetic anhydride. This method provides good yields and is widely used in academic and industrial settings.

What industries use 5-(4-Chlorophenyl)-1H-pyrazole (CAS: 59843-58-2)?

5-(4-Chlorophenyl)-1H-pyrazole is utilized in the pharmaceutical industry for the development of certain drugs. It also has applications in the production of certain polymers and as a precursor in the synthesis of organic electronic materials such as semiconductors and sensors.

What precautions should be taken when handling 5-(4-Chlorophenyl)-1H-pyrazole (CAS: 59843-58-2)?

When handling 5-(4-Chlorophenyl)-1H-pyrazole, it is important to use personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated area or fume hood. In case of spillage, it is advised to use appropriate containment and disposal methods as outlined in the material safety data sheet (MSDS).