methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate
methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate structure
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Common Name | methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate | ||
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| CAS Number | 91076-95-8 | Molecular Weight | 312.18200 | |
| Density | 1.556g/cm3 | Boiling Point | 484.5ºC at 760 mmHg | |
| Molecular Formula | C12H10BrNO2S | Melting Point | 146-148ºC | |
| MSDS | N/A | Flash Point | 246.8ºC | |
Summary: Methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate (CAS number: 91076-95-8) is an organic compound with molecular formula C12H10BrNO2S and molecular weight 312.18200. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.556g/cm3 |
|---|---|
| Boiling Point | 484.5ºC at 760 mmHg |
| Melting Point | 146-148ºC |
| Molecular Formula | C12H10BrNO2S |
| Molecular Weight | 312.18200 |
| Flash Point | 246.8ºC |
| Exact Mass | 310.96200 |
| PSA | 80.56000 |
| LogP | 4.12760 |
| Index of Refraction | 1.647 |
| InChIKey | SUUSCMIMJCHEAB-UHFFFAOYSA-N |
| SMILES | COC(=O)c1sc(-c2ccc(Br)cc2)cc1N |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2934999090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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methyl 3-amino-... CAS#:91076-95-8 |
| Literature: Hartmann, Horst; Liebscher, Juergen Synthesis, 1984 , # 3 p. 275 - 276 |
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methyl 3-amino-... CAS#:91076-95-8 |
| Literature: Tavares, Francis X.; Al-Barazanji, Kamal A.; Bigham, Eric C.; Bishop, Michael J.; Britt, Christy S.; Carlton, David L.; Feldman, Paul L.; Goetz, Aaron S.; Grizzle, Mary K.; Guo, Yu C.; Handlon, Anthony L.; Hertzog, Donald L.; Ignar, Diane M.; Lang, Daniel G.; Ott, Ronda J.; Peat, Andrew J.; Zhou, Hui-Qiang Journal of Medicinal Chemistry, 2006 , vol. 49, # 24 p. 7095 - 7107 |
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methyl 3-amino-... CAS#:91076-95-8 |
| Literature: Sahner, J. Henning; Groh, Matthias; Negri, Matthias; Haupenthal, Joerg; Hartmann, Rolf W. European Journal of Medicinal Chemistry, 2013 , vol. 65, p. 223 - 231 |
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 section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate? |
| A: LogP of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate is 4.12760. |
| Q: What is the InChIKey of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate? |
| A: InChIKey of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate is SUUSCMIMJCHEAB-UHFFFAOYSA-N. |
| Q: What is the molecular formula of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate? |
| A: Molecular formula of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate is C12H10BrNO2S. |
| Q: What is the SMILES notation of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate? |
| A: SMILES notation of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate is COC(=O)c1sc(-c2ccc(Br)cc2)cc1N. |
| Q: What is the melting point of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate? |
| A: Melting point of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate is 146-148ºC. |
| Q: What is the English name of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate? |
| A: The English name of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate is methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate. |
| Q: What is the boiling point of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate? |
| A: Boiling point of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate is 484.5ºC at 760 mmHg. |
| Q: What is the polar surface area (PSA) of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate? |
| A: Polar surface area (PSA) of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate is 80.56000. |
| Q: What is the molecular weight of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate? |
| A: Molecular weight of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate is 312.18200. |
| Q: What is the CAS number of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate? |
| A: CAS number of methyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate is 91076-95-8. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |