5-Formyl-2-thiophenecarboxylic acid
5-Formyl-2-thiophenecarboxylic acid structure
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Common Name | 5-Formyl-2-thiophenecarboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 4565-31-5 | Molecular Weight | 156.159 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 371.4±27.0 °C at 760 mmHg | |
| Molecular Formula | C6H4O3S | Melting Point | 169 °C | |
| MSDS | Chinese USA | Flash Point | 178.4±23.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-Formyl-2-thiophenecarboxylic Acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 371.4±27.0 °C at 760 mmHg |
| Melting Point | 169 °C |
| Molecular Formula | C6H4O3S |
| Molecular Weight | 156.159 |
| Flash Point | 178.4±23.7 °C |
| Exact Mass | 155.988113 |
| PSA | 82.61000 |
| LogP | 0.98 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.666 |
| InChIKey | VFEAMMGYJFFXKV-UHFFFAOYSA-N |
| SMILES | O=Cc1ccc(C(=O)O)s1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~58%
5-Formyl-2-thio... CAS#:4565-31-5 |
| Literature: CHONG KUN DANG PHARMACEUTICAL CORP. Patent: WO2004/37808 A1, 2004 ; Location in patent: Page 14-15; 93 ; |
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~93%
5-Formyl-2-thio... CAS#:4565-31-5 |
| Literature: Moehlmann, Lennart; Ludwig, Stefan; Blechert, Siegfried Beilstein Journal of Organic Chemistry, 2013 , vol. 9, p. 602 - 607 |
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~%
5-Formyl-2-thio... CAS#:4565-31-5 |
| Literature: Mahboobi, Siavosh; Dove, Stefan; Sellmer, Andreas; Winkler, Matthias; Eichhorn, Emerich; Pongratz, Herwig; Ciossek, Thomas; Baer, Thomas; Maier, Thomas; Beckers, Thomas Journal of Medicinal Chemistry, 2009 , vol. 52, # 8 p. 2265 - 2279 |
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~%
5-Formyl-2-thio... CAS#:4565-31-5 |
| Literature: Renouard, Thierry; Graetzel, Michael Tetrahedron, 2001 , vol. 57, # 38 p. 8145 - 8150 |
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~%
5-Formyl-2-thio... CAS#:4565-31-5 |
| Literature: Carpenter, Andrew J,; Chadwick, Derek J. Tetrahedron, 1985 , vol. 41, # 18 p. 3803 - 3812 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD
Source: ChEMBL
Target: D-amino-acid oxidase
External Id: CHEMBL4268780
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00191437 |
| 5-Formyl-2-thiophenecarboxylic acid |
| 5-Formylthenoic Acid |
| T5SJ BVQ EVH |
| 5-Formylthiophene-2-carboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 5-Formyl-2-thiophenecarboxylic Acid? |
| A: The English name of 5-Formyl-2-thiophenecarboxylic Acid is 5-Formyl-2-thiophenecarboxylic Acid. |
| Q: What is the melting point of 5-Formyl-2-thiophenecarboxylic Acid? |
| A: Melting point of 5-Formyl-2-thiophenecarboxylic Acid is 169 °C. |
| Q: What is the molecular formula of 5-Formyl-2-thiophenecarboxylic Acid? |
| A: Molecular formula of 5-Formyl-2-thiophenecarboxylic Acid is C6H4O3S. |
| Q: What is the InChIKey of 5-Formyl-2-thiophenecarboxylic Acid? |
| A: InChIKey of 5-Formyl-2-thiophenecarboxylic Acid is VFEAMMGYJFFXKV-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 5-Formyl-2-thiophenecarboxylic Acid? |
| A: Molecular weight of 5-Formyl-2-thiophenecarboxylic Acid is 156.159. |
| Q: What is the SMILES notation of 5-Formyl-2-thiophenecarboxylic Acid? |
| A: SMILES notation of 5-Formyl-2-thiophenecarboxylic Acid is O=Cc1ccc(C(=O)O)s1. |
| Q: What is the polar surface area (PSA) of 5-Formyl-2-thiophenecarboxylic Acid? |
| A: Polar surface area (PSA) of 5-Formyl-2-thiophenecarboxylic Acid is 82.61000. |
| Q: What English synonyms does 5-Formyl-2-thiophenecarboxylic Acid have? |
| A: English synonyms of 5-Formyl-2-thiophenecarboxylic Acid: MFCD00191437, 5-Formyl-2-thiophenecarboxylic acid, 5-Formylthenoic Acid, T5SJ BVQ EVH, 5-Formylthiophene-2-carboxylic acid. |
| Q: What is the safety information for 5-Formyl-2-thiophenecarboxylic Acid? |
| A: Safety information for 5-Formyl-2-thiophenecarboxylic Acid: S26-S36. |
| Q: What is the CAS number of 5-Formyl-2-thiophenecarboxylic Acid? |
| A: CAS number of 5-Formyl-2-thiophenecarboxylic Acid is 4565-31-5. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |