78646-17-0
| Name | 2-HYDROXYBENZOIC-3,4,5,6-D4 ACID |
| CAS | 78646-17-0 |
| EINECS(EC#) | 200-835-2 |
| Molecular Formula | C7H2D4O3 |
| MDL Number | MFCD06658892 |
| Molecular Weight | 142.15 |
| MOL File | 78646-17-0.mol |
Chemical Properties
| Appearance | White Solid |
| 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) |
| Fp | 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 Data
| Symbol(GHS) |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225-H302+H312+H332-H319 |
| Precautionary statements | P210-P280-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338 |
| Hazard Codes | F,Xn |
| Risk Statements | |
| Safety Statements | |
| 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 |