3-Acetyl-2,4-dimethylpyrrole
3-Acetyl-2,4-dimethylpyrrole structure
|
Common Name | 3-Acetyl-2,4-dimethylpyrrole | ||
|---|---|---|---|---|
| CAS Number | 2386-25-6 | Molecular Weight | 137.179 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 250.9±35.0 °C at 760 mmHg | |
| Molecular Formula | C8H11NO | Melting Point | 136-139 °C(lit.) | |
| MSDS | N/A | Flash Point | 112.1±33.4 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone |
|---|---|
| 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 | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 250.9±35.0 °C at 760 mmHg |
| Melting Point | 136-139 °C(lit.) |
| Molecular Formula | C8H11NO |
| Molecular Weight | 137.179 |
| Flash Point | 112.1±33.4 °C |
| Exact Mass | 137.084061 |
| PSA | 32.86000 |
| LogP | 1.12 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.524 |
| InChIKey | VGZCKCJMYREIKA-UHFFFAOYSA-N |
| SMILES | CC(=O)c1c(C)c[nH]c1C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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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-S24/25 |
| WGK Germany | 3 |
| RTECS | OB2885000 |
| 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 10 | |
|---|---|
| DownStream 8 | |
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CAS#:5666-10-4This 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.
| 3,5-dimethyl-4-acetylpyrrole |
| EINECS 219-197-1 |
| 2,4-dimethyl-3-acetyl-1H-pyrrole |
| 3-Acetyl-2,4-dimethylpyrrole |
| 1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone |
| KETONE,2,4-DIMETHYLPYRROL-3-YL METHYL |
| MFCD00005221 |
| 2,4-Dimethylpyrrol-3-yl methyl ketone |
| 2,4-dimethyl-3-acetyl pyrrole |
| 2,4-Dimethyl-3-acetylpyrrole |
| 2,4-Dimethyl-3-acetylpyrrol |
| 3-acetyl-2,4-dimethyl-1H-pyrrole |
| Ethanone,1-(2,4-dimethyl-1H-pyrrol-3-yl) |
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 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone? |
| A: SMILES notation of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone is CC(=O)c1c(C)c[nH]c1C. |
| Q: What is the English name of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone? |
| A: The English name of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone is 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone. |
| Q: What is the polar surface area (PSA) of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone? |
| A: Polar surface area (PSA) of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone is 32.86000. |
| Q: What is the boiling point of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone? |
| A: Boiling point of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone is 250.9±35.0 °C at 760 mmHg. |
| Q: What is the molecular weight of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone? |
| A: Molecular weight of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone is 137.179. |
| Q: What is the safety information for 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone? |
| A: Safety information for 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone: S26-S36-S24/25. |
| Q: What is the LogP of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone? |
| A: LogP of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone is 1.12. |
| Q: What are the downstream products of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone? |
| A: Related downstream products(CAS) of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone: 517-22-6;625-82-1;628-35-3;1003-90-3;1500-93-2;19005-95-9;2386-30-3;5666-10-4. |
| Q: What is the CAS number of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone? |
| A: CAS number of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone is 2386-25-6. |
| Q: What is the molecular formula of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone? |
| A: Molecular formula of 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone is C8H11NO. |
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. |