Grundinformationen
- CAS
92-71-7- Standard-SMILES
c1ccc(-c2cnc(-c3ccccc3)o2)cc1- InChIKey
CNRNYORZJGVOSY-UHFFFAOYSA-N- Summenformel
- C15H11NO
- Durchschnittliche Molmasse
- 221,25 g/mol
- Monoisotopische Masse
- 221,08406397
Namen und Bezeichner
- Bevorzugter Name
- 2,5-Diphenyloxazole
- IUPAC
- 2,5-diphenyl-1,3-oxazole
- Lokaler Name
- 2,5-Diphenyloxazol
- Englischer Name
- 2,5-Diphenyloxazole
- Summenformel
- C15H11NO
- Molmasse
- 221.25
Namen und Synonyme
2,5-Diphenyloxazole92-71-72,5-Diphenyl-1,3-oxazoleOXAZOLE, 2,5-DIPHENYL-TritosolPPO (scintillator)DPO (scintillator)2P8A647RYFNSC-24856NSC-49168DTXSID7059060RefChem:444676
Weitere Namen anzeigen
DPOPolyphenylene etherDPO PPOusafek-67752,5-DiphenyLDiphenyloxazoledpo(scintillator)
DTXCID0048767202-181-32,5-diphenyl-oxazoleUSAF EK-6775PPOMFCD00005306NSC 248562,3-oxazole
Datenbank-Bezeichner
- CAS
92-71-7- PubChem CID
- 7105
- DTXSID
DTXSID7059060- UNII
- 2P8A647RYF
- EC Number
- 202-181-3
- Nikkaji
- J37.305B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,7
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 231
Experimentelle und physikochemische Eigenschaften
Chemical ClassesDyes -> Other Dyes
SpringerMaterials PropertiesAngular frequency
LogP4.67
Density1.0940 @ 100°C
Boiling Point360 °C @760 [mm Hg]
Melting Point74 °C
Vapor Pressure0.00000465 [mmHg]
Physical DescriptionWhite powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 72 · 72-74 °C(lit.)
- Siedepunkt
- 360 °C · 360 °C(lit.)
- Dichte
- 1.06 · 1.06
- Dampfdruck
- 0.002 Pa · 0.002Pa at 25℃
- Brechungsindex
- 1.6231 · 1.6231 (estimate)
- Flammpunkt
- 360 °C · 360°C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- very faint turbidity in Methanol
- pka
- 0.39 · 0.39±0.10(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- White
- Wasserlöslichkeit
- NEGLEGIBLE
- BRN
- 157021 · 157021
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C15H11NO/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-11H
- InChIKey
- CNRNYORZJGVOSY-UHFFFAOYSA-N
- SMILES
- c1ccc(cc1)-c2cnc(o2)-c3ccccc3
- LogP
- 4.1 at · 4.1 at 30℃ and pH5.6
- CAS Datenbank
- 92 · 92-71-7(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Oxazole, 2,5-diphenyl-(92-71-7)
- EPA chemische Informationen
- 2 · Oxazole, 2,5-diphenyl- (92-71-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 8.3% (4 of 48) of reports.
Warning
H302 (91.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Oxazole, 2,5-diphenyl-
Status: Active Update: 21-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22619
Oxazole, 2,5-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 750 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See POPOP.
Hazard Classes and CategoriesAcute Tox. 4 (91.7%)
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
2.5 [mg/m3]
27 [mg/m3]
160 [mg/m3]
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- RTECS-Nr.
- RP6825000
- risk_code
- 36/37/38-36-22
- hazard_code
- Xi,Xn
- safety_code
- 24/25-25-24-36/37-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationOxazole, 2,5-diphenyl-: ACTIVE
Anwendungen
VerwendenPPO can be used as a dopant that improves the photo-electric feedback of plastic scintillators which are used as radiation detectors for nuclear materials. It can be coated on peptide substrates to facilitate radioactive labelling which can enable determination of substrate specificity of lysine methyltransferase enzymes. It may also be used in the fabrication of organic luminescent materials which can be used in light emitting diodes (LEDs).
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