121662-14-4
| Name | (+/-)-IBUPROFEN-D3 |
| CAS | 121662-14-4 |
| Molecular Formula | C13H15D3O2 |
| MDL Number | MFCD06658737 |
| Molecular Weight | 209.3 |
| MOL File | 121662-14-4.mol |
Chemical Properties
| Appearance | Colourless Crystalline Solid |
| Melting point | 69-71°C |
| Fp | 9℃ |
| storage temp. | -20°C Freezer |
| solubility | Acetonitrile (Slightly), Chloroform (Sparingly), Ethanol (Slightly, Sonicated), |
| form | Solid |
| color | White to Pale Beige |
| Major Application | clinical testing |
| InChI | 1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3D3 |
| InChIKey | HEFNNWSXXWATRW-HPRDVNIFSA-N |
| SMILES | CC(C)CC1=CC=C(C(C([2H])([2H])[2H])C(O)=O)C=C1 |
| EPA Substance Registry System | Benzeneacetic acid, ?-(methyl-d3)-4-(2-methylpropyl)- (121662-14-4) |
Safety Data
| Hazard Codes | Xn,N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN3077 9/PG 3 |
| WGK Germany | WGK 2 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |