3-Acetyl-2,4-dimethylpyrrole

Modify Date: 2024-01-11 02:11:01

3-Acetyl-2,4-dimethylpyrrole Structure
3-Acetyl-2,4-dimethylpyrrole structure
Common Name 3-Acetyl-2,4-dimethylpyrrole
CAS Number 2386-25-6 Molecular Weight 137.179
Density 1.0±0.1 g/cm3 Boiling Point 250.9±35.0 °C at 760 mmHg
Molecular Formula C8H11NO Melting Point 136-139 °C(lit.)
MSDS N/A Flash Point 112.1±33.4 °C

 Names

Name 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone
Synonym More Synonyms

 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

 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

 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%

 Synonyms

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)