2-Phenyloxazol-5(4H)-on

Azlactone

HCID 65073CAS 1199-01-5

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Grundinformationen

Standard-SMILES: O=C1CN=C(c2ccccc2)O1
InChIKey: QKCKCXFWENOGER-UHFFFAOYSA-N
Summenformel: C9H7NO2
Durchschnittliche Molmasse: 161,16 g/mol
Monoisotopische Masse: 161,04767846

Überblick

2-phenyloxazol-5(4H)-one is a 1,3-oxazole having a phenyl substituent at the 2-position and an oxo group at the 5-position. Note that phenyloxazolone is commonly used as a synonym for 4-(ethoxymethylene)-2-phenyloxazol-5-one (PhOx).

Namen und Bezeichner

Bevorzugter Name: Azlactone
IUPAC: 2-phenyl-4H-1,3-oxazol-5-one
Lokaler Name: 2-Phenyloxazol-5(4H)-on
Englischer Name: 2-Phenyl-5-oxazolone
Summenformel: C9H7NO2
Molmasse: 161.16

Namen und Synonyme

2-Phenyloxazol-5(4H)-one1199-01-55(4H)-Oxazolone, 2-phenyl-2-Phenyloxazolone2-Phenyloxazolin-5-one2-phenyl-1,3-oxazol-5(4H)-oneCHEBI:602962-phenyloxazol-5-oneDTXSID0061612AzlactoneRefChem:560587DTXCID7033523

Weitere Namen anzeigen

2-phenyl-5(4h)-oxazolon2-PHENYL-2-OXAZOLIN-5-ONE2-Phenyl-2-oxazoline-5-one

214-840-22-Phenyl-5-oxazolonePhenyloxazolone2-phenyl-4H-oxazol-5-one2-Phenyl-5(4H)-OxazoloneMFCD000145172-phenyl-4H-1,3-oxazol-5-one2-Oxazolin-5-one, 2-phenyl-

Datenbank-Bezeichner

CAS: 1199-01-5
PubChem CID: 65073
DTXSID: DTXSID0061612
ChEBI: CHEBI:60296
UNII: 2ZE8X9UTS8
EC Number: 214-840-2
Nikkaji: J217.040J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 217

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

Physical DescriptionOrange powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 89 · 89-92°C
Siedepunkt: 248.1 · 248.1±23.0 °C(Predicted)
Dichte: 1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Soluble in most common organic solvents.
pka: 2.56 · 2.56±0.20(Predicted)
BRN: 128465 · 128465
EPA chemische Informationen: 5 · 5(4H)-Oxazolone, 2-phenyl- (1199-01-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

tsca: TSCA listed
safety_code: 22-24/25

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information5(4H)-Oxazolone, 2-phenyl-: INACTIVE

Anwendungen

Verwenden2-Phenyl-5-oxazolone is a reagent used as a masked glycine equivalent and for the formation of heterocyclic structures, it can be used to produce 4-benzylidene-2-phenyl-4H-oxazol-5-one.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Hippursure Dichlormethan N'-(Ethylkohlenstoffimidoyl)-N,N-dimethylpropan-1,3-diaminhydrochlorid

Nachgelagerte Produkte

2-Phenyl-4-(2-quinolinyl)-1,3-oxazol-5(4H)-one 4-[(3-Fluorphenyl)methylen]-2-phenyloxazol-5(4H)-on Ethyl 2-phenyl-imidazole-4-carboxylate

Anbieter50 Anbieter

山东玖玥生物科技有限公司15553333686

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A 1,3-oxazole having a phenyl substituent at the 2-position and an oxo group at the 5-position. Note that phenyloxazolone is commonly used as a synonym for 4-(ethoxymethylene)-2-phenyloxazol-5-one (PhOx).