(4-Hydroxy-3-methoxyphenyl-d3)acetic-2,2-d2 Acid
- Product Name(4-Hydroxy-3-methoxyphenyl-d3)acetic-2,2-d2 Acid
- CAS53587-32-9
- CBNumberCB03380349
- MFC9H5D5O4
- MW187.2
- MOL File53587-32-9.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 141-142o C |
| Boiling point | 368.691±27.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.308±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| storage temp. | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| solubility | DMSO (Very Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.394±0.10(predicted) |
| color | White to Pale Yellow |
| Stability | Hygroscopic |
| Major Application | clinical testing clinical testing |
| InChI | 1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/i2D,3D,4D,5D2 |
| InChIKey | QRMZSPFSDQBLIX-DVHRWRHBSA-N |
| SMILES | O(C)c1c(c(c(c(c1[2H])C(C(=O)O)([2H])[2H])[2H])[2H])O |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| CAS Number Unlabeled | 306-08-1 |
Safety
| Symbol(GHS) |
  
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| Signal word | Danger |
| Hazard statements | H225-H301+H311+H331-H370 |
| Precautionary statements | P210-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311 |
| WGK Germany | WGK 1 |
| 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 |
