2-Hydroxybenzoic-3,4,5,6-d4 acid
- Product Name2-Hydroxybenzoic-3,4,5,6-d4 acid
- CAS78646-17-0
- MFC7H2D4O3
- MW142.15
- EINECS200-835-2
- MOL File78646-17-0.mol
Chemical Properties
| Melting point | 155-158°C |
| Boiling point | 336.280±0.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.376±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| Flash point | 2℃ |
| storage temp. | Refrigerator |
| solubility | DMSO (Sparingly), Methanol (Slightly) |
| form | Solid |
| pka | 3.006±0.10(predicted) |
| color | White to Off-White |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/i1D,2D,3D,4D |
| InChIKey | YGSDEFSMJLZEOE-RHQRLBAQSA-N |
| SMILES | [2H]c1c([2H])c([2H])c(C(O)=O)c(O)c1[2H] |
| CAS DataBase Reference | 78646-17-0 |
| CAS Number Unlabeled | 69-72-7 |
Safety Information
| Hazard Codes | F,Xn |
| Risk Statements | 11-20/21/22-36 |
| Safety Statements | 16-36/37 |
| RIDADR | UN 1648 3 / PGII |
| WGK Germany | 2 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 |
