76646-91-8
| Name | (3S)-6,6-DIBROMO-2,2-DIMETHYLPENAM-3-CARBOXYLIC ACID 1,1-DIOXIDE |
| CAS | 76646-91-8 |
| Molecular Formula | C8H9Br2NO5S |
| MDL Number | MFCD28137728 |
| Molecular Weight | 391.03 |
| MOL File | 76646-91-8.mol |
Chemical Properties
| Melting point | 177-178 °C (decomp) |
| Boiling point | 600.1±55.0 °C(Predicted) |
| density | 2.29±0.1 g/cm3(Predicted) |
| storage temp. | -20°C |
| pka | 2.03±0.60(Predicted) |
| Major Application | pharmaceutical |
| InChI | 1S/C8H9Br2NO5S/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)17(7,15)16/h3,6H,1-2H3,(H,12,13)/t3-,6+/m0/s1 |
| InChIKey | DZYBRGUNKNPEKM-BBIVZNJYSA-N |
| SMILES | [S]1(=O)(=O)[C@H]2N([C@H](C1(C)C)C(=O)O)C(=O)C2(Br)Br |
Safety Data
| Symbol(GHS) |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302-H315-H317-H318 |
| Precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310 |
| WGK Germany | WGK 3 |
| REACH Registrations | Inactive |
| HS Code | 2941906000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Skin Irrit. 2 Skin Sens. 1 |