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Home >> Chemical Listing >> Page 322 >> 1-[1-[(4-Methylphenyl)Sulfonyl]-1H-Pyrrol-2-Yl]-Ethanone

1-[1-[(4-Methylphenyl)Sulfonyl]-1H-Pyrrol-2-Yl]-Ethanone
[CAS# 129666-99-5]

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Identification
Name 1-[1-[(4-Methylphenyl)Sulfonyl]-1H-Pyrrol-2-Yl]-Ethanone
Synonyms 1-[1-(4-Methylphenyl)Sulfonyl-2-Pyrrolyl]Ethanone; Zinc02565449
Molecular Structure CAS#: 129666-99-5, 1-[1-[(4-Methylphenyl)Sulfonyl]-1H-Pyrrol-2-Yl]-Ethanone
Molecular Formula C13H13NO3S
Molecular Weight 263.31
CAS Registry Number 129666-99-5
SMILES C1=C([N](C=C1)[S](C2=CC=C(C=C2)C)(=O)=O)C(=O)C
InChI 1S/C13H13NO3S/c1-10-5-7-12(8-6-10)18(16,17)14-9-3-4-13(14)11(2)15/h3-9H,1-2H3
InChIKey MYLYBCZMJRPTEU-UHFFFAOYSA-N
Properties
Desity 1.245g/cm3 (Cal.)
Boiling point 442.059°C at 760 mmHg (Cal.)
Flash point 221.15°C (Cal.)
Safety Data
SDS Available
References
(1) S. Liu, M. Xia, Y.-F. Li, S.-P. Deng and H.-J. Zhu. 1-(1-Tosyl-1H-pyrrol-2-yl)ethanone, Acta Cryst. (2007). E63, o3228 
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