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3051-27-2

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3051-27-2 Structure

3051-27-2 Structure
IdentificationBack Directory
[Name]

1-thiophen-2-ylbutane-1,3-dione
[CAS]

3051-27-2
[Synonyms]

Nsc 80371
Thenoylacetone
2-Thenoylacetone
1-(2-Thienyl)-1,3-butanedione
1-(2-Thienyl)butane-1,3-dione
1,3-Butanedione, 1-(2-thienyl)-
1-thiophen-2-ylbutane-1,3-dione
1-(Thiophen-2-yl)-1,3-butanedione
[Molecular Formula]

C8H8O2S
[MDL Number]

MFCD00054531
[MOL File]

3051-27-2.mol
[Molecular Weight]

168.21
Chemical PropertiesBack Directory
[Boiling point ]

291℃
[density ]

1.196
[Fp ]

130℃
[form ]

solid
[InChI]

1S/C8H8O2S/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4H,5H2,1H3
[InChIKey]

BSXCLFYNJYBVPM-UHFFFAOYSA-N
[SMILES]

O=C(CC(C)=O)C1=CC=CS1
[EPA Substance Registry System]

1,3-Butanedione, 1-(2-thienyl)- (3051-27-2)
Safety DataBack Directory
[Risk Statements ]

36
[Safety Statements ]

26
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Synthesis Reference(s)]

Journal of the American Chemical Society, 72, p. 5219, 1950 DOI: 10.1021/ja01167a120
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