21080-92-2
| Name | 3-Thiophenemalonic acid |
| CAS | 21080-92-2 |
| EINECS(EC#) | 244-198-9 |
| Molecular Formula | C7H6O4S |
| MDL Number | MFCD00005469 |
| Molecular Weight | 186.19 |
| MOL File | 21080-92-2.mol |
Chemical Properties
| Appearance | white to light yellow crystal powder |
| Melting point | 139 °C (dec.) (lit.) |
| Boiling point | 290.67°C (rough estimate) |
| density | 1.5439 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| storage temp. | 2-8°C |
| form | powder to crystal |
| pka | 2.73±0.10(Predicted) |
| color | White to Orange to Green |
| BRN | 6503620 |
| InChI | InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11) |
| InChIKey | GCOOGCQWQFRJEK-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C(C1C=CSC=1)C(O)=O |
| CAS DataBase Reference | 21080-92-2(CAS DataBase Reference) |
| EPA Substance Registry System | 21080-92-2(EPA Substance) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| REACH Registrations | Active |
| HS Code | 29309090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |