Indole-2,4,5,6,7-d5-3-acetic acid
- Product NameIndole-2,4,5,6,7-d5-3-acetic acid
- CAS76937-78-5
- MFC10H4D5NO2
- MW180.22
- EINECS
- MOL File76937-78-5.mol
Chemical Properties
| Melting point | 165-169 °C(lit.) |
| Boiling point | 415.030±20.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.355±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| storage temp. | -20°C Freezer |
| solubility | Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.486±0.30(predicted) |
| color | Pale Brown to Dark Brown |
| InChI | 1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i1D,2D,3D,4D,6D |
| InChIKey | SEOVTRFCIGRIMH-SNOLXCFTSA-N |
| SMILES | [2H]c1c([2H])c([2H])c2c(CC(O)=O)c([2H])[nH]c2c1[2H] |
| CAS Number Unlabeled | 87-51-4 |
Safety Information
| Safety Statements | 22-24/25 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |