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2386-25-6

Basic Information
CAS No.: 2386-25-6
Name: 3-Acetyl-2,4-dimethylpyrrole
Article Data: 27
Molecular Structure:
Molecular Structure of 2386-25-6 (3-Acetyl-2,4-dimethylpyrrole)
Formula: C8H11NO
Molecular Weight: 137.181
Synonyms: Ketone,2,4-dimethylpyrrol-3-yl methyl (6CI,7CI,8CI);2,4-Dimethyl-3-acetylpyrrole;2,4-Dimethylpyrrol-3-yl methyl ketone;3-Acetyl-2,4-dimethylpyrrole;NSC 10759;
EINECS: 219-197-1
Density: 1.04 g/cm3
Melting Point: 136-139 °C(lit.)
Boiling Point: 250.9 °C at 760 mmHg
Flash Point: 112.1 °C
Appearance: Brown to purple crystals or powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-24/25
PSA: 32.86000
LogP: 1.83410
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Chemistry

IUPAC: 1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone
CAS:2386-25-6
The Molecular formula of 3-Acetyl-2,4-dimethyl-pyrrole (2386-25-6):C8H11NO
The Molecular Weight of 3-Acetyl-2,4-dimethyl-pyrrole (2386-25-6):137.18
EINECS:219-197-1
Synonyms: 3-Acetyl-2,4-dimethylpyrrole ; 2,4-Dimethyl-3-acetylpyrrole ; 2,4-Dimethylpyrrol-3-yl methyl ketone ; Timtec-BB SBB004194 ; 1-(2,4-Dimethyl-1H-pyrrol-3-yl)-ethanone ; Ketone,2,4-dimethylpyrrol-3-yl methyl;ketone,2,4-dimethylpyrrol-3-ylmethyl ; Ethanone,1-(2,4-dimethyl-1H-pyrrol-3-yl)-(9CI)  
Melting Point:136-139oC(lit.)
Density:1.04g/cm3
Boiling Point:250.9oC at 760mmHg
Flash Point:112.1oC
Index of Refraction:1.524 
Vapor pressure:0.0211 mmHg at 25o
Enthalpy of Vaporization:48.82 kJ/mol
Appearance:Pink powder.
Product Categories:Acettylgroup;Building Blocks;Heterocyclic Building Blocks;Pyrroles
Mol File:2386-25-6.mol

Toxicity Data With Reference

1.    

ipr-rat LD50:250 mg/kg

  JMCMAR    Journal of Medicinal Chemistry. 11 (1968),1251.
2.    

ipr-mus LD50:400 mg/kg

    JMCMAR    Journal of Medicinal Chemistry. 11 (1968),1251.
3.    

ivn-mus LD50:71 mg/kg

    CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04669 .

Safety Profile

Poison by intravenous and intraperitoneal routes. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx. See also KETONES.

Safty informations about 3-Acetyl-2,4-dimethyl-pyrrole (2386-25-6):
Hazard Codes:Xi
Risk Statements:36/37/38
 36/37/38(Irritating to eyes, respiratory system and skin)
Safety Statements:26-36-24/25
 26(In case of contact with eyes, rinse immediately with plenty of water and seek medical advice)
 36(Wear suitable protective clothing)
 24/25(Avoid contact with skin and eyes)
WGK Germany:3
RTECS:OB2885000

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 3-Acetyl-2,4-dimethyl-pyrrole (2386-25-6) is used as an intermediate in synthesis of many useful compounds. It is stable under normal temperatures and pressures but it also should  be stored in a tightly closed container when not in use and stored in a cool, well-ventilated area away from incompatible substances.