2-Azetidinone
Grundinformationen
- CAS
930-21-2- Standard-SMILES
O=C1CCN1- InChIKey
MNFORVFSTILPAW-UHFFFAOYSA-N- Summenformel
- C3H5NO
- Durchschnittliche Molmasse
- 71,08 g/mol
- Monoisotopische Masse
- 71,03711378
Überblick
Beta-lactam is a lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon.
Namen und Bezeichner
- Bevorzugter Name
- 2-Azetidinone
- IUPAC
- azetidin-2-one
- Englischer Name
- 2-Azetidinone
- Summenformel
- C3H5NO
- Molmasse
- 71.08
Namen und Synonyme
azetidin-2-one2-Azetidinone930-21-2beta-PropiolactamAzetidinonePropiolactamCHEBI:327119DTXSID30239225RefChem:85518DTXCID50161716628-180-1beta-Lactam
Weitere Namen anzeigen
2-AzetidoneAZETAN-2-ONE2-Azetidinone 98%Azetidin-2-one 98%2-AZACYCLOBUTANONE
MFCD00013328CHEMBL344042CHEBI:35627beta-Lactams2-Azetdinoneazetidine-2-one2-Azetidinone, 98%Epitope ID:117418
Datenbank-Bezeichner
- CAS
930-21-2- PubChem CID
- 136721
- DTXSID
DTXSID30239225- ChEMBL
CHEMBL344042- ChEBI
CHEBI:35627- EC Number
- 628-180-1
- Nikkaji
- J80.017A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,8
- Polarare Oberfläche (TPSA)
- 29,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 59,9
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
SpringerMaterials PropertiesCoriolis coupling
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 74 · 74-76 °C (lit.)
- Siedepunkt
- 106 °C/15 · 106 °C/15 mmHg (lit.)
- Dichte
- 1.0347 · 1.0347 (rough estimate)
- Brechungsindex
- 1.4035 · 1.4035 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- chloroform: very soluble(lit.)
- Aggregatzustand
- Liquid
- pka
- 15.86 · 15.86±0.20(Predicted)
- Farbe
- Clear
- BRN
- 104563 · 104563
- InChI
- InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)
- InChIKey
- MNFORVFSTILPAW-UHFFFAOYSA-N
- SMILES
- N1CCC1=O
- CAS Datenbank
- 930 · 930-21-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Sicherheitsdaten
- wgk
- 3
- tsca
- No
- ridadr
- UN 3263 8/PG 2
- hs_code
- 2933998090
- risk_code
- 34
- hazard_code
- C
- hazard_note
- Corrosive/Keep Cold
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1B
Chemie und Industrie
Anwendungen
Verwenden2-Azetidinone was used in synthesis of optically pure densely functionalized γ-lactams.
Vor- und nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionChEBI: An unsubstituted beta-lactam compound.
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