3-Phenyl-1H-pyrazole
Synonym(s):3-Phenyl-1H-pyrazole
- CAS NO.：2458-26-6
- Empirical Formula: C9H8N2
- Molecular Weight: 144.17
- MDL number: MFCD00159654
- EINECS: 627-985-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-30 17:04:37
What is 3-Phenyl-1H-pyrazole?
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.
Properties of 3-Phenyl-1H-pyrazole
| 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) |
| CAS DataBase Reference | 2458-26-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 3(5)-phenylpyrazole(2458-26-6) |
Safety information for 3-Phenyl-1H-pyrazole
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-Phenyl-1H-pyrazole
| InChIKey | OEDUIFSDODUDRK-UHFFFAOYSA-N |
| SMILES | N1C=CC(C2=CC=CC=C2)=N1 |
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