| Identification | More | [Name]
3-Phenyl-1H-pyrazole | [CAS]
2458-26-6 | [Synonyms]
3(5)-Phenyl-1H-pyrazole
3-PHENYL-1H-PYRAZOLE
3-PHENYLPYRAZOLE
AKOS B028621
ART-CHEM-BB B028621
BUTTPARK 44\09-05
1H-Pyrazole, 3-phenyl-
3-phenyl-pyrazol
Pyrazole, 3-phenyl-
3(5)-Phenyl-1H-pyrazole, 99+%
3(5)-Phenylpyrazole, GC 99%
3-Phenyl-1h-pyrazole, 99+% | [EINECS(EC#)]
222-099-1 | [Molecular Formula]
C9H8N2 | [MDL Number]
MFCD00159654 | [Molecular Weight]
144.17 | [MOL File]
2458-26-6.mol |
| Chemical Properties | Back Directory | [Appearance]
white to yellowish-orange powder | [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 | [form ]
Powder | [pka]
13.52±0.10(Predicted) | [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 Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3 | [RTECS ]
UQ7950000 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29331990 |
| Hazard Information | Back Directory | [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. |
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