Grundinformationen
- Standard-SMILES
CC1(C)COC=N1- InChIKey
KOAMXHRRVFDWRQ-UHFFFAOYSA-N- Summenformel
- C5H9NO
- Durchschnittliche Molmasse
- 99,13 g/mol
- Monoisotopische Masse
- 99,06841391
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 4,4-Dimethyl-2-oxazoline
- IUPAC
- 4,4-dimethyl-5H-1,3-oxazole
- Lokaler Name
- 4,5-Dihydro-4,4-dimethyloxazol
- Englischer Name
- 4,4-DIMETHYL-2-OXAZOLINE
- Summenformel
- C5H9NO
- Molmasse
- 99.13
Namen und Synonyme
4,4-Dimethyl-2-oxazoline30093-99-34,4-DimethyloxazolineOxazole, 4,5-dihydro-4,4-dimethyl-4,5-Dihydro-4,4-dimethyloxazoleT6Z768E669DTXSID60184178DMOXRefChem:507445DTXCID70106669250-045-74,4-dimethyl-5H-1,3-oxazole
Weitere Namen anzeigen
SKL0964,4-Dimethyl-2-oxazoline>4,4-Dimethyl-2-oxazoline, 98+%
4,4-dimethyl-4,5-dihydrooxazole4,4-Dimethyl-4,5-dihydro-1,3-oxazoleMFCD00014507EINECS 250-045-74,4-dimethyl-5H-oxazoleSCHEMBL610454SCHEMBL703337UNII-T6Z768E669
Datenbank-Bezeichner
- CAS
30093-99-3- PubChem CID
- 121630
- DTXSID
DTXSID60184178- UNII
- T6Z768E669
- EC Number
- 250-045-7
- Nikkaji
- J236.347J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 21,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 96,3
Physikochemische Eigenschaften
- Siedepunkt
- 99 · 99-100 °C
- Dichte
- 0.94 · 0.94
- Brechungsindex
- 1.419 · 1.419-1.424
- Flammpunkt
- 1 °C · 1 °C
- storage temp.
- 30 °C · Store below +30°C.
- Aggregatzustand
- Liquid
- pka
- 4.88 · 4.88±0.40(Predicted)
- Farbe
- Clear colorless
- Wasserlöslichkeit
- Hydrolyzes with water.
- BRN
- 1209606 · 1209606
- InChI
- 1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3
- InChIKey
- KOAMXHRRVFDWRQ-UHFFFAOYSA-N
- SMILES
- N1=COCC1(C)C
- CAS Datenbank
- 30093 · 30093-99-3
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information4,4-Dimethyl-2-oxazoline: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- ridadr
- 1993
- hs_code
- 29349990
- risk_code
- 11
- hazard_code
- F
- safety_code
- 9-33
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 2
Chemie und Industrie
Anwendungen
Verwenden4,4-Dimethyl-2-oxazoline is used in the fictionalization of a non-activated carbon-hydrogen bond.
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