81453-98-7

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81453-98-7 Structure

Identification	More
[Name] 3-Acetyl-1-(phenylsulfonyl)pyrrole
[CAS] 81453-98-7
[Synonyms] 1-(1-BENZENESULFONYL-1H-PYRROL-3-YL)-ETHANONE 1-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]-1-ETHANONE 3-ACETYL-1-(PHENYLSULFONYL)PYRROLE 3-ACETYL-1-(PHENYLSULPHONYL)PYRROLE BUTTPARK 97\57-34 3-Acetyl-1-(phenylsulphonyl)-1H-pyrrole 3-ACETYL-1-(PHENYLSULFONYL)PYRROLE 99+% 3-ACETYL-N-BENZENESULFONYLPYRROLE 1-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]ETHANONE
[Molecular Formula] C12H11NO3S
[MDL Number] MFCD00067752
[Molecular Weight] 249.29
[MOL File] 81453-98-7.mol

Chemical Properties	Back Directory
[Appearance] BEIGE CRYSTALLINE POWDER
[Melting point ] 96-99 °C(lit.)
[Boiling point ] 435.7±37.0 °C(Predicted)
[density ] 1.3164 (rough estimate)
[refractive index ] 1.6000 (estimate)
[form ] Solid
[pka] -11.54±0.70(Predicted)
[InChI] 1S/C12H11NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h2-9H,1H3
[InChIKey] HTMLKRFQINMFRA-UHFFFAOYSA-N
[SMILES] CC(=O)c1ccn(c1)S(=O)(=O)c2ccccc2
[CAS DataBase Reference] 81453-98-7(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:Wear suitable protective clothing .
[WGK Germany ] 3
[Hazard Note ] Irritant
[HS Code ] 29350090
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Hazard Information	Back Directory
[Chemical Properties] BEIGE CRYSTALLINE POWDER
[Uses] 3-Acetyl-1-(phenylsulfonyl)pyrrole is a heterocyclic building block.
[Definition] ChEBI: 1-[1-(benzenesulfonyl)-3-pyrrolyl]ethanone is a sulfonamide.
[Synthesis Reference(s)] The Journal of Organic Chemistry, 48, p. 3214, 1983 DOI: 10.1021/jo00167a014
[General Description] 3-Acetyl-1-(phenylsulfonyl)pyrrole is a heterocyclic building block.

Spectrum Detail	Back Directory
[Spectrum Detail] 3-Acetyl-1-(phenylsulfonyl)pyrrole(81453-98-7)IR

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 3-Acetyl-1-(phenylsulfonyl)pyrrole, 99+%(81453-98-7)
[Sigma Aldrich] 81453-98-7(sigmaaldrich)

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