| Identification | More | [Name]
3-ACETYLPYRROLE | [CAS]
1072-82-8 | [Synonyms]
1-(1H-PYRROL-3-YL)ETHAN-1-ONE
1-(1H-PYRROL-3-YL)-ETHANONE
3-ACETYLPYRROLE
BUTTPARK 97\57-37
3-Acetyl-1H-pyrrole
Methyl3-pyrrolylketone
3-Acetyl-pyrrole, 97 % | [EINECS(EC#)]
-0 | [Molecular Formula]
C6H7NO | [MDL Number]
MFCD00067759 | [Molecular Weight]
109.13 | [MOL File]
1072-82-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
115-117°C | [Boiling point ]
220 C | [density ]
1.099±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
15.37±0.50(Predicted) | [color ]
Light Brown | [BRN ]
107151 | [Stability:]
Light Sensitive | [InChI]
InChI=1S/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3 | [InChIKey]
KHHSXHXUQVNBGA-UHFFFAOYSA-N | [SMILES]
C(=O)(C1C=CNC=1)C | [CAS DataBase Reference]
1072-82-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing . | [Hazard Note ]
Irritant | [HS Code ]
2933998090 |
| Hazard Information | Back Directory | [Uses]
3-Acetylpyrrole is a useful research reagent for organic synthesis and other chemical and pharmaceutical processes. | [Definition]
ChEBI: 1-(1H-pyrrol-3-yl)ethan-1-one is an aromatic ketone. | [Synthesis Reference(s)]
Canadian Journal of Chemistry, 58, p. 2527, 1980 DOI: 10.1139/v80-404
Synthetic Communications, 17, p. 401, 1987 DOI: 10.1080/00397918708063917
Tetrahedron Letters, 22, p. 4901, 1981 DOI: 10.1016/S0040-4039(01)92377-9 | [Synthesis]
3-Acetylpyrrole can be prepared from pyrrole.
Pyrrole (10.0 g) was added to a well-stirred suspension of NaOH (17.9 g, 447.3 mmol) in 10 mL of dichloromethane. The reaction mixture was cooled to 0°C. The reaction mixture was stirred for 10 min. A s |
|
|