Introduction：Basic information about CAS 517-22-6|2,4-Dimethyl-3-ethyl-1H-pyrrole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,4-Dimethyl-3-ethyl-1H-pyrrole |
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| CAS Number | 517-22-6 | Molecular Weight | 123.19600 |
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| Density | 0.913 g/mL at 25 °C(lit.) | Boiling Point | 197 °C710 mm Hg(lit.) |
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| Molecular Formula | C8H13N | Melting Point | / |
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| MSDS | / | Flash Point | 161 °F |
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Names
| Name | 2,4-Dimethyl-3-ethyl-1H-pyrrole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.913 g/mL at 25 °C(lit.) |
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| Boiling Point | 197 °C710 mm Hg(lit.) |
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| Molecular Formula | C8H13N |
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| Molecular Weight | 123.19600 |
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| Flash Point | 161 °F |
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| Exact Mass | 123.10500 |
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| PSA | 15.79000 |
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| LogP | 2.19390 |
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| Index of Refraction | n20/D 1.496(lit.) |
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| InChIKey | ZEBBLOXDLGIMEG-UHFFFAOYSA-N |
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| SMILES | CCc1c(C)c[nH]c1C |
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| Storage condition | 0-6°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UX9629500
- CHEMICAL NAME :
- Pyrrole, 3-ethyl-2,4-dimethyl-
- CAS REGISTRY NUMBER :
- 517-22-6
- BEILSTEIN REFERENCE NO. :
- 0107089
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H13-N
- MOLECULAR WEIGHT :
- 123.22
- WISWESSER LINE NOTATION :
- T5MJ B1 C2 D1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 77 mg/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 | S26-S36-S37/39 |
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| WGK Germany | 3 |
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| RTECS | UX9629500 |
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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
| MFCD00005222 |
| Kryptopyrrole |
| Cryptopyrrole |
| EINECS 208-234-7 |
| 3-Ethyl-2,4-dimethyl-1H-pyrrole |
| 2,4-Dimethyl-3-ethylpyrrole |
| 3-Ethyl-2,4-diMethylpyrrole |
