3-Acetyl-2,4-dimethylpyrrole
Names
[ CAS No. ]:
2386-25-6
[ Name ]:
3-Acetyl-2,4-dimethylpyrrole
[Synonym ]:
3,5-dimethyl-4-acetylpyrrole
EINECS 219-197-1
2,4-dimethyl-3-acetyl-1H-pyrrole
Ethanone, 1-(2,4-dimethyl-1H-pyrrol-3-yl)-
3-Acetyl-2,4-dimethylpyrrole
1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone
Ethanone, 1- (2,4-dimethyl-1H-pyrrol-3-yl)-
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)
Chemical & Physical Properties
[ 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
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- OB2885000
- CHEMICAL NAME :
- Ketone, 2,4-dimethylpyrrol-3-yl methyl
- CAS REGISTRY NUMBER :
- 2386-25-6
- BEILSTEIN REFERENCE NO. :
- 0109769
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C8-H11-N-O
- MOLECULAR WEIGHT :
- 137.20
- WISWESSER LINE NOTATION :
- T5MJ B1 CV1 D1
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 :
- 250 mg/kg
- TOXIC EFFECTS :
- Behavioral - anticonvulsant Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness
- 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 :
- 400 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - anticonvulsant 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
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 71 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04669
Safety Information
[ Hazard Codes ]:
Xi: Irritant;
[ Risk Phrases ]:
R36/37/38
[ Safety Phrases ]:
S26-S36-S24/25
[ WGK Germany ]:
3
[ RTECS ]:
OB2885000
[ 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%