Introduction：Basic information about CAS 2386-26-7|3-acetyl-2,4-dimethyl-5-carbethoxypyrrole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-acetyl-2,4-dimethyl-5-carbethoxypyrrole |
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| CAS Number | 2386-26-7 | Molecular Weight | 209.242 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 359.2±42.0 °C at 760 mmHg |
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| Molecular Formula | C11H15NO3 | Melting Point | 143 °C |
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| MSDS | / | Flash Point | 171.0±27.9 °C |
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Names
| Name | ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 359.2±42.0 °C at 760 mmHg |
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| Melting Point | 143 °C |
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| Molecular Formula | C11H15NO3 |
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| Molecular Weight | 209.242 |
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| Flash Point | 171.0±27.9 °C |
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| Exact Mass | 209.105194 |
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| PSA | 59.16000 |
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| LogP | 2.37 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.522 |
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| InChIKey | ALRDOFWBPAZOCW-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)c1[nH]c(C)c(C(C)=O)c1C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UX9370900
- CHEMICAL NAME :
- Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester
- CAS REGISTRY NUMBER :
- 2386-26-7
- LAST UPDATED :
- 199309
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C11-H15-N-O3
- MOLECULAR WEIGHT :
- 209.27
- WISWESSER LINE NOTATION :
- T5MJ BVO2 C1 DV1 E1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1251,1968
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Safety Information
| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S22-S36/37/39 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| 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% |
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Synonyms
| PYRROLE-2-CARBOXYLIC ACID,4-ACETYL-3,5-DIMETHYL-,ETHYL ESTER |
| ethyl 3,5-dimethyl-4-acetyl-1H-pyrrol-2-carboxylate |
| Ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| 1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester |
| 3-Acetyl-2,4-dimethyl-5-carbethoxypyrrole |
| 1H-Pyrrole-2-carboxylic acid,4-acetyl-3,5-dimethyl-,ethyl ester |
| 3-Acetyl-2,4-Dimethyl-5-(Ethoxycarbonyl)Pyrrole |
| ethyl 3,5-dimethyl-4-acetyl-2-pyrrolecarboxylate |
| 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester |
| MFCD00022373 |
| ethyl 4-acetyl-3,5-dimetyl-1H-pyrrole-2-carboxylate |
| ETHYL 3-ACETYL-2,4-DIMETHYL-5-PYRROLECARBOXYLATE |
| 4-Acetyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester |
| ethyl 4-acetyl-3,5-dimethyl-pyrrole-2-carboxylate |
