Introduction：Basic information about CAS 6314-22-3|1H-Pyrrole-3-carboxylicacid, 5-acetyl-2,4-dimethyl-, ethyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1H-Pyrrole-3-carboxylicacid, 5-acetyl-2,4-dimethyl-, ethyl ester |
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| CAS Number | 6314-22-3 | Molecular Weight | 209.24200 |
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| Density | 1.123g/cm3 | Boiling Point | 379.6ºC at 760 mmHg |
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| Molecular Formula | C11H15NO3 | Melting Point | / |
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| MSDS | / | Flash Point | 183.4ºC |
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Names
| Name | Ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.123g/cm3 |
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| Boiling Point | 379.6ºC at 760 mmHg |
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| Molecular Formula | C11H15NO3 |
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| Molecular Weight | 209.24200 |
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| Flash Point | 183.4ºC |
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| Exact Mass | 209.10500 |
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| PSA | 59.16000 |
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| LogP | 2.01080 |
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| Index of Refraction | 1.521 |
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| InChIKey | ZCNAULQFSXEJTD-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)c1c(C)[nH]c(C(C)=O)c1C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UX9371100
- CHEMICAL NAME :
- Pyrrole-3-carboxylic acid, 5-acetyl-2,4-dimethyl-, ethyl ester
- CAS REGISTRY NUMBER :
- 6314-22-3
- BEILSTEIN REFERENCE NO. :
- 0160846
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C11-H15-N-O3
- MOLECULAR WEIGHT :
- 209.27
- WISWESSER LINE NOTATION :
- T5MJ BV1 C1 DVO2 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 :
- 650 mg/kg
- TOXIC EFFECTS :
- Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity)
- 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
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-3-CARBOXYLIC ACID,5-ACETYL-2,4-DIMETHYL-,ETHYL ESTER |
| 2,4-Dimethyl-5-acetyl-pyrrol-carbonsaeure-(3)-ethylester |
| 5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester |
| 3,5-Dimethyl-2-acetyl-4-ethoxycarbonyl-pyrrol |
| 5-Acetyl-2,4-dimethyl-pyrrol-3-carbonsaeure-aethylester |
| 5-Acetyl-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester |
