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1072-82-8

1072-82-8 Structure

1072-82-8 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P301+P312-P305+P351+P338
[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 .
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack 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

Spectrum DetailBack Directory
[Spectrum Detail]

3-ACETYLPYRROLE(1072-82-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-(1H-pyrrol-3-yl)ethan-1-one(1072-82-8)
[Alfa Aesar]

3-Acetylpyrrole, 97%(1072-82-8)
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