HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 5-formylthiophene-2-carboxylate
Methyl 5-forMylthiophene-2-carboxylate · METHYL 5-FORMYL-2-THIOPHENECARBOXYLATE · 5-FORMYLTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER · 5-Formyl-2-thiophenecarboxylic acid methyl ester · 2-Thiophenecarboxylic acid, 5-forMyl-, Methyl ester · METHYL 5-FORMYL-2-THIOPHENECARBOXYLATE ISO 9001:2015 REACH

Identifiers & Physical Properties
| CAS No. | 67808-64-4 |
|---|---|
| Molecular formula | C7H6O3S |
| Average molar mass | 170.19 g/mol |
| Monoisotopic mass | 170.00376505 g/mol |
| SMILES | COC(=O)c1ccc(C=O)s1 |
| InChIKey | APNKWEPRZUSZCJ-UHFFFAOYSA-N |
| PubChem CID | 818924 |
| DTXSID | DTXSID60356010 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 71.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 169 |
| Melting point | 102℃ |
| Boiling point | 304.3±27.0 °C(Predicted) |
| Density | 1.324±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| Appearance | Light brown to off-white Solid |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H332-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
| Customs code | 2934999090 |
Safety & Regulations
| Customs code | 2934999090 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H332-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
Applications & Uses
Uses
METHYL 5-FORMYL-2-THIOPHENECARBOXYLATE is mainly used in pharmaceutical synthesis and scientific research experiments.