3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
- Product Name3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
- CAS22042-79-1
- CBNumberCB3116843
- MFC12H12N2O
- MW200.24
- EINECS244-750-9
- MDL NumberMFCD00051396
- MOL File22042-79-1.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 125-128 °C |
| Boiling point | 337.96°C (rough estimate) |
| Density | 1.1131 (rough estimate) |
| refractive index | 1.6660 (estimate) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | soluble in DMSO, Methanol |
| pka | -0.95±0.10(Predicted) |
| form | Solid |
| color | White |
| InChI | InChI=1S/C12H12N2O/c1-9-12(8-15)10(2)14(13-9)11-6-4-3-5-7-11/h3-8H,1-2H3 |
| InChIKey | VOMRTQQGXWPTJK-UHFFFAOYSA-N |
| SMILES | N1(C2=CC=CC=C2)C(C)=C(C=O)C(C)=N1 |
| CAS DataBase Reference | 22042-79-1(CAS DataBase Reference) |
| EPA Substance Registry System | 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl- (22042-79-1) |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302-H312-H315-H319-H332-H335 |
| Precautionary statements | P261-P280-P305+P351+P338 |
| Hazard Codes | Xn,Xi |
| Risk Statements | 36/37/38-22 |
| Safety Statements | 36/37/39-26-22 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 29331990 |