ChemicalBook--->CAS DataBase List--->76543-27-6

76543-27-6

76543-27-6 Structure

76543-27-6 Structure
IdentificationBack Directory
[Name]

3-Azetidinone, 1-[(4-methylphenyl)sulfonyl]-
[CAS]

76543-27-6
[Synonyms]

1-Tosylazetidin-3-one
1-(4-methylbenzenesulfonyl)azetidin-3-one
1-[(4-Methylphenyl)sulfonyl]-3-azetidinone
3-Azetidinone, 1-[(4-methylphenyl)sulfonyl]-
1-[(4-Methylphenyl)sulfonyl]-3-azetidinone 95%
[Molecular Formula]

C10H11NO3S
[MDL Number]

MFCD00129860
[MOL File]

76543-27-6.mol
[Molecular Weight]

225.26
Chemical PropertiesBack Directory
[Melting point ]

147-152°C
[Boiling point ]

395.4±52.0 °C(Predicted)
[density ]

1.389±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

powder
[pka]

-9.97±0.20(Predicted)
[Appearance]

White to light yellow Solid
[InChI]

1S/C10H11NO3S/c1-8-2-4-10(5-3-8)15(13,14)11-6-9(12)7-11/h2-5H,6-7H2,1H3
[InChIKey]

YRVBXEVVGIQJOZ-UHFFFAOYSA-N
[SMILES]

O=C1CN(S(C2=CC=C(C)C=C2)(=O)=O)C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Safety Statements ]

24/25
[WGK Germany ]

3
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

1-Tosylazetidin-3-one is a useful synthetic intermediate. It is used to synthesize Azaspiro[3.3]heptanes as building blocks for medicinal chemistry.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Azetidinone, 1-[(4-methylphenyl)sulfonyl]-(76543-27-6)1HNMR
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