HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate
EAOA · CEFA-006 · )-2-oxoacetate · 2-(2-Amino-4-thiazoL · Ethyl-2-(2-AMinothiazol-4-yl)- · Ethyl Aminothiazole Glyoxylate · Ethyl 2-amino-4-thiazoleglyoxylate · Ethyl 2-amino-α-oxo-4-thiazoleacetate
Identifiers & Physical Properties
| CAS No. | 64987-08-2 |
|---|---|
| Molecular formula | C7H8N2O3S |
| Average molar mass | 200.22 g/mol |
| Monoisotopic mass | 200.02556312 g/mol |
| SMILES | CCOC(=O)C(=O)c1csc(N)n1 |
| InChIKey | XNVRKLCQBZTGNA-UHFFFAOYSA-N |
| PubChem CID | 4356513 |
| EC No. | 682-387-1 |
| DTXSID | DTXSID00402308 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 111 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 4 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 222 |
| Melting point | 150-152 °C(lit.) |
| Boiling point | 361.6±15.0 °C(Predicted) |
| Density | 1.405±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 1.35±0.10(Predicted) |
| Color | Light Yellow to Yellow |
| InChI | InChI=1S/C7H8N2O3S/c1-2-12-6(11)5(10)4-3-13-7(8)9-4/h3H,2H2,1H3,(H2,8,9) |
| InChIKey | XNVRKLCQBZTGNA-UHFFFAOYSA-N |
| SMILES | C1(N=C(N)SC=1)C(=O)C(=O)OCC |
| CAS DataBase Reference | 64987-08-2(CAS DataBase Reference) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302+H312+H332-H315-H319-H335 |
| GHS precautionary statements | P271-P260-P280 |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-37/39 |
| Customs code | 2934100090 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Customs code | 2934100090 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-37/39 |
| GHS hazard statements | H302+H312+H332-H315-H319-H335 |
| GHS precautionary statements | P271-P260-P280 |
Applications & Uses
Uses
Ethyl 2-(2-Aminothiazol-4-yl)glyoxylate is used in the synthesis of antibacterial compounds. Also used in the synthesis of antiallergic and antiinflammatory agents, as glycolic amide derivatives.