HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Thiopheneglyoxylic acid
2-thioylformic acid · RARECHEM AL BO 2203 · 2-Thiopheneglyoxylic · 2-THIENYLGLYOXYLIC ACID · 2-Thienylglyoxalic acid · a-Thienylglyoxalic acid · 2-THIOPHENEGLYOXYLIC ACID · (2-Thienyl)oxoacetic acid
Identifiers & Physical Properties
| CAS No. | 4075-59-6 |
|---|---|
| Molecular formula | C6H4O3S |
| Average molar mass | 156.16 g/mol |
| Monoisotopic mass | 155.98811499 g/mol |
| SMILES | O=C(O)C(=O)c1cccs1 |
| InChIKey | GIWRVUADKUVEGU-UHFFFAOYSA-N |
| PubChem CID | 77694 |
| ChEMBL | CHEMBL294445 |
| EC No. | 223-794-2 |
| DTXSID | DTXSID90193733 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 82.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 166 |
| Melting point | 88-91 °C (lit.) |
| Boiling point | 250.38°C (rough estimate) |
| Density | 1.404 (estimate) |
| Refractive index | 1.5151 (estimate) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| Physical state | solid |
| pKa (acidity coefficient) | 2.09±0.54(Predicted) |
| Sensitivity | Hygroscopic |
| BRN | 115791 |
| InChI | 1S/C6H4O3S/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9) |
| InChIKey | GIWRVUADKUVEGU-UHFFFAOYSA-N |
| SMILES | OC(=O)C(=O)c1cccs1 |
| CAS DataBase Reference | 4075-59-6(CAS DataBase Reference) |
| FDA UNII | 723A77PV2M |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard symbols | C,Xi |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-27-28-36/37/39-45 |
| UN transport number | UN 3261 8/PG 2 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Packing group | III |
| Customs code | 29349990 |
| Storage class | 8A - Combustible corrosive hazardous materials |
Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 3261 8/PG 2 |
| Customs code | 29349990 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C,Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26-27-28-36/37/39-45 |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | III |
| GHS hazard statements | H314 |
| GHS precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 |
Applications & Uses
Uses
2-Thiopheneglyoxylic acid was used in the synthesis of europium complexes.