4-Amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
- Product Name4-Amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
- CAS654-62-6
- CBNumberCB5693012
- MFC7H8F3N3O4S2
- MW319.28
- EINECS211-506-8
- MDL NumberMFCD00197629
- MOL File654-62-6.mol
Chemical Properties
| Melting point: | 241-246 °C |
| Boiling point: | 562.8±60.0 °C(Predicted) |
| Density | 1.743±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 9.14±0.60(Predicted) |
| form | Solid |
| color | White to Off-White |
| BRN | 1164542 |
| Major Application | pharmaceutical (small molecule) |
| InChI | InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17) |
| InChIKey | KRVABEGPNKGLOT-UHFFFAOYSA-N |
| SMILES | C1(S(N)(=O)=O)=C(C(F)(F)F)C=C(N)C(S(N)(=O)=O)=C1 |
| CAS DataBase Reference | 654-62-6(CAS DataBase Reference) |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P305+P351+P338 |
| target organs | Respiratory system |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| HS Code | 2935900090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications |
Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| REACH Registrations | Active |