2458-26-6
| Name | 3-Phenyl-1H-pyrazole |
| CAS | 2458-26-6 |
| EINECS(EC#) | 222-099-1 |
| Molecular Formula | C9H8N2 |
| MDL Number | MFCD00159654 |
| Molecular Weight | 144.17 |
| MOL File | 2458-26-6.mol |
Chemical Properties
| 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
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | UQ7950000 |
| Hazard Note | Irritant |
| HazardClass | IRRITANT |
| HS Code | 29331990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |