Grundinformationen
- Standard-SMILES
c1cocn1- InChIKey
ZCQWOFVYLHDMMC-UHFFFAOYSA-N- Summenformel
- C3H3NO
- Durchschnittliche Molmasse
- 69,06 g/mol
- Monoisotopische Masse
- 69,02146372
Überblick
1,3-oxazole is a five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3. It is a mancude organic heteromonocyclic parent, a monocyclic heteroarene and a member of 1,3-oxazoles.
Namen und Bezeichner
- Bevorzugter Name
- Oxazole
- IUPAC
- 1,3-oxazole
- Lokaler Name
- Oxazol
- Englischer Name
- Oxazole
- Summenformel
- C3H3NO
- Molmasse
- 69.06
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
288-42-6- PubChem CID
- 9255
- DTXSID
DTXSID70182983- ChEMBL
CHEMBL2171710- ChEBI
CHEBI:35597- UNII
- FJZ20I1LPS
- EC Number
- 206-020-8
- Nikkaji
- J24.394I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 30,1
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 87 · −87-−84 °C(lit.)
- Siedepunkt
- 69 · 69-70 °C(lit.)
- Dichte
- 1.05 g/mL · 1.05 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.425(lit.)
- Flammpunkt
- 66 °F · 66 °F
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- Chloroform, Methanol (Slightly)
- pka
- 0.8 · 0.8(at 33℃)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Wasserlöslichkeit
- Miscible with alcohol and ether. Slightly miscible with water.
- BRN
- 103851 · 103851
- InChI
- 1S/C3H3NO/c1-2-5-3-4-1/h1-3H
- InChIKey
- ZCQWOFVYLHDMMC-UHFFFAOYSA-N
- SMILES
- c1cocn1
- LogP
- 0.12 · 0.120
- CAS Datenbank
- 288 · 288-42-6(CAS DataBase Reference)
- NIST chemische Informationen
- Oxazole(288-42-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1993 3/PG 1
- hs_code
- 29349990
- risk_code
- 11-41-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36-37/60
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 2
Chemie und Industrie
Anwendungen
VerwendenOxazole and its derivatives are actively involved as building blocks for bio chemicals and pharmaceuticals like flopristin and darglitazone. It is also involved in industrial applications such as in dyes, fluorescent brightening agents, textile auxiliaries and plastics.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Ergänzende Hinweise
Definitionoxazole: A heterocyclic compoundhaving a nitrogen atom and an oxygenatom in a five-membered ring,C3H3NO.
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…