1-Phenylpyrazole
ALDRICH/278289 - 97%
CAS Number: 1126-00-7
Empirical Formula (Hill Notation): C9H8N2
Molecular Weight: 144.17
EC Number: 214-415-1
MDL Number: MFCD00003112
Linear Formula: C9H8N2
Product Type: Chemical
| assay | 97% |
| bp | 141-142 °C/30 mmHg (lit.) |
| density | 1.091 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C9H8N2/c1-2-5-9(6-3-1) |
| InChI key | WITMXBRCQWOZPX-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | c1ccc(cc1)-n2cccn2 |
| Application: | 1-Phenylpyrazole has been used: • in the preparation of 4,5-diphenylpyrazolo[1,5-a]quinoline, 1-(1,2,3,4-tetraphenylnap • as cyclometallated ligand in the preparation of new heteroleptic iridium(III) complexes |
| General description: | 1-Phenylpyrazole undergoes cyclometallation with rhodium trichloride to yield rac-di(μ-chloro)tetrakis[2-(pyrazol-1-yl)phenyl-C1,N2′]dirhodium. The activation of the C-H bond of 1-phenylpyrazole autocatalyzed by the co-product HOAc was studied. |
| Packaging: | 5 g in glass bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | 235.4 °F - closed cup |
| Flash Point(C) | 113 °C - closed cup |
| Purity | 97% |
| bp | 141-142 °C/30 mmHg (lit.) |
| Density | 1.091 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |