CAS 92-71-7 2,5-Diphenyloxazole (HCID 7105)

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Basic information

CAS: 92-71-7
Standard SMILES: c1ccc(-c2cnc(-c3ccccc3)o2)cc1
InChIKey: CNRNYORZJGVOSY-UHFFFAOYSA-N
Molecular formula: C15H11NO
Average molar mass: 221.25 g/mol
Monoisotopic mass: 221.08406397

Names & identifiers

Preferred name: 2,5-Diphenyloxazole
IUPAC: 2,5-diphenyl-1,3-oxazole
English name: 2,5-Diphenyloxazole
Molecular formula: C15H11NO
Molecular weight: 221.25

Names & synonyms

2,5-Diphenyloxazole92-71-72,5-Diphenyl-1,3-oxazoleOXAZOLE, 2,5-DIPHENYL-TritosolPPO (scintillator)DPO (scintillator)2P8A647RYFNSC-24856NSC-49168DTXSID7059060RefChem:444676

Show more names

DPOPolyphenylene etherDPO PPOusafek-67752,5-DiphenyLDiphenyloxazoledpo(scintillator)

DTXCID0048767202-181-32,5-diphenyl-oxazoleUSAF EK-6775PPOMFCD00005306NSC 248562,3-oxazole

Database identifiers

CAS: 92-71-7
PubChem CID: 7105
DTXSID: DTXSID7059060
UNII: 2P8A647RYF
EC Number: 202-181-3
Nikkaji: J37.305B

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 231

Experimental & physicochemical properties

Chemical ClassesDyes -> Other Dyes

SpringerMaterials PropertiesAngular frequency

LogP4.67

Density1.0940 @ 100°C

Boiling Point360 °C @760 [mm Hg]

Melting Point74 °C

Physicochemical properties

Melting point: 72 · 72-74 °C(lit.)
Boiling point: 360 °C · 360 °C(lit.)
Density: 1.06 · 1.06
vapor pressure

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 3 items

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%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

2.5 [mg/m3]

27 [mg/m3]

160 [mg/m3]

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
rtecs: RP6825000
hs_code: 29349990
risk_code

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationOxazole, 2,5-diphenyl-: ACTIVE

Applications · 2 items

UsesPPO 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).

General Description2,5-Diphenyloxazole (PPO) is an oxazole that can be used as a scintillator and a laser dye. It has fluorescence at a wavelength of 375 nm. It can be used as a wavelength shifter in liquid samples due to their high quantum yield and large strokes shift.