1-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
Names
[ CAS No. ]:
1500-92-1
[ Name ]:
1-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
[Synonym ]:
1-(5-Acetyl-2,4-dimethyl-1H-pyrrol-3-yl)-ethanone
2,4-Diacetyl-3,5-dimethyl-pyrrol
Pyrrole,2,4-diacetyl-3,5-dimethyl
1,1'-(3,5-dimethyl-pyrrole-2,4-diyl)-bis-ethanone
2,4-diacetyl-3,5-dimethyl-pyrrole
1,1'-(3,5-dimethyl-1H-pyrrole-2,4-diyl)diethanone
2,4-diacetyl-3,5-dimethyl-1H-pyrrole
Chemical & Physical Properties
[ Density]:
1.097g/cm3
[ Boiling Point ]:
346.8ºC at 760mmHg
[ Molecular Formula ]:
C10H13NO2
[ Molecular Weight ]:
179.21600
[ Flash Point ]:
167.6ºC
[ Exact Mass ]:
179.09500
[ PSA ]:
49.93000
[ LogP ]:
2.03670
[ Vapour Pressure ]:
5.62E-05mmHg at 25°C
[ Index of Refraction ]:
1.529
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UX9455000
- CHEMICAL NAME :
- Pyrrole, 2,4-diacetyl-3,5-dimethyl-
- CAS REGISTRY NUMBER :
- 1500-92-1
- BEILSTEIN REFERENCE NO. :
- 0134077
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H13-N-O2
- MOLECULAR WEIGHT :
- 179.24
- WISWESSER LINE NOTATION :
- T5MJ BV1 C1 DV1 E1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 200 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
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- 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
Safety Information
[ HS Code ]:
2933990090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ 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%