3-Phenyl-1H-pyrazole Chemical Properties

Melting point:

75-77 °C

Boiling point:

314°C(lit.)

Density 

1.1357 (rough estimate)

refractive index 

1.5960 (estimate)

storage temp. 

Sealed in dry,Room Temperature

pka

13.52±0.10(Predicted)

form 

Powder

color 

White to yellow-orange

InChI

InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)

InChIKey

OEDUIFSDODUDRK-UHFFFAOYSA-N

SMILES

N1C=CC(C2=CC=CC=C2)=N1

CAS DataBase Reference

2458-26-6(CAS DataBase Reference)

NIST Chemistry Reference

3(5)-phenylpyrazole(2458-26-6)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

36/37/38-22-20/21/22

Safety Statements 

37/39-26

WGK Germany 

3

RTECS 

UQ7950000

HS Code 

2933 19 90

HazardClass 

IRRITANT

MSDS

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3-Phenyl-1H-pyrazole Usage And Synthesis

Description

3-phenyl-1H-pyrazole is an essential intermediate for the synthesis of many biologically active compounds. It was synthesized from acetophenone and hydrazine through two steps, including Knoevenagel condensation and cyclization reaction[1]. As the ligand, this compound could synthesize a novel luminescent cyclometalated iridium(III) complex-based chemosensor bearing a zinc-specific receptor. This Luminescent Iridium(III) Chemosensor could visualize Zn2+ Ions in Live Zebrafish[2].

Chemical Properties

white to yellowish-orange powder

References

[1] X. Liu. et al. “Synthesis of 3-phenyl-1H-pyrazole Derivatives.”. DOI 10.2991/emcm-16.2017.117.
[2] Dik-Lung Ma*. “Visualization of Zn2+ Ions in Live Zebrafish Using a Luminescent Iridium(III) Chemosensor.” ACS Applied Materials & Interfaces 6 16 (2014): 14008–14015.

3-Phenyl-1H-pyrazole(2458-26-6)Related Product Information

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• 5-AMINO-1-METHYL-3-PHENYLPYRAZOLE
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