Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate
Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate structure
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Common Name | Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 938-75-0 | Molecular Weight | 167.205 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 274.3±35.0 °C at 760 mmHg | |
| Molecular Formula | C9H13NO2 | Melting Point | 94-95°C | |
| MSDS | N/A | Flash Point | 119.7±25.9 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 274.3±35.0 °C at 760 mmHg |
| Melting Point | 94-95°C |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.205 |
| Flash Point | 119.7±25.9 °C |
| Exact Mass | 167.094635 |
| PSA | 42.09000 |
| LogP | 2.65 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.516 |
| InChIKey | XUIPYRXOVPTMHC-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1[nH]cc(C)c1C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 10 | |
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CAS#:822-51-5![5-[(5-carboxy-3,4-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid structure](https://image.chemsrc.com/caspic/005/147072-27-3.png)
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CAS#:4030-22-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate |
| 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, ethyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate? |
| A: SMILES notation of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(C)c1C. |
| Q: What is the InChIKey of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate? |
| A: InChIKey of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is XUIPYRXOVPTMHC-UHFFFAOYSA-N. |
| Q: What is the boiling point of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate? |
| A: Boiling point of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is 274.3±35.0 °C at 760 mmHg. |
| Q: What are the upstream materials of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate? |
| A: Related upstream materials(CAS) of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate: 2999-46-4;90433-84-4;6829-41-0;143193-92-4;78-93-3;105-56-6;4391-95-1;822-51-5. |
| Q: What is the molecular formula of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate? |
| A: Molecular formula of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is C9H13NO2. |
| Q: What is the English name of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate? |
| A: The English name of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate. |
| Q: What is the melting point of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate? |
| A: Melting point of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is 94-95°C. |
| Q: What is the LogP of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate? |
| A: LogP of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is 2.65. |
| Q: What is the polar surface area (PSA) of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate? |
| A: Polar surface area (PSA) of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is 42.09000. |
| Q: What is the molecular weight of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate? |
| A: Molecular weight of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is 167.205. |
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. |