2-Biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole
Basic information
- CAS
852-38-0- Standard SMILES
c1ccc(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1- InChIKey
WMAXWOOEPJQXEB-UHFFFAOYSA-N- Molecular formula
- C20H14N2O
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.11061307
Names & identifiers
- Preferred name
- 2-Biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole
- IUPAC
- 2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole
- English name
- 2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole
- Molecular formula
- C20H14N2O
- Molecular weight
- 298.34
Names & synonyms
852-38-02-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole1,3,4-Oxadiazole, 2-(4-biphenylyl)-5-phenyl-2-Biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-5-phenyl-US7R82695EEINECS 212-712-0NSC 24858NSC-248581,3,4-Oxadiazole, 2-(1,1'-biphenyl)-4-yl-5-phenyl-DTXSID30612132-(1,1'-BIPHENYL)-4-YL-5-PHENYL-1,3,4-OXADIAZOLE
Show more names
PBDPBD, scintillation gradePBD, 99%, scintillation grade2-(4-biphenyl)-5-phenyldiazole2-(4-Biphenylyl)-5-phenyloxadiazole2-(4-DIPHENYL)-5-PHENYL-1,3,4-OXADIZOLE2-(4-BIPHENYL)-5-PHENYL-1,3,4-OXADIAZOLE2-(4-BIPHENYLYL)-5-PHENYL-1 3 4-OXA- &
RefChem:465729DTXCID00484702Biphenyl4yl5phenyl1,3,4oxadiazole1,3,4Oxadiazole, 2(4biphenylyl)5phenyl1,3,4Oxadiazole, 2(4biphenylyl)5phenyl (8CI)1,3,4-Oxadiazole, 2-(4-biphenylyl)-5-phenyl-(8CI)212-712-02-([1,1'-Biphenyl]-4-yl)-5-phenyl-1,3,4-oxadiazole
Database identifiers
- CAS
852-38-0- PubChem CID
- 70065
- DTXSID
DTXSID3061213- UNII
- US7R82695E
- EC Number
- 212-712-0
- Nikkaji
- J150.005H
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 355
Experimental & physicochemical properties
Chemical ClassesDyes -> Other Dyes
SpringerMaterials PropertiesAngular frequency
Physical DescriptionWhite crystalline solid; [Aldrich MSDS]
Physicochemical properties
- Melting point
- 167 · 167-169 °C(lit.)
- Boiling point
- 439.76 °C · 439.76°C (rough estimate)
- Density
- 1.1743 · 1.1743 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- -5.17 · -5.17±0.37(Predicted)
- form
- powder
- BRN
- 252554 · 252554
- InChI
- 1S/C20H14N2O/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17/h1-14H
- InChIKey
- WMAXWOOEPJQXEB-UHFFFAOYSA-N
- SMILES
- c1ccc(cc1)-c2ccc(cc2)-c3nnc(o3)-c4ccccc4
- CAS DataBase Reference
- 852 · 852-38-0(CAS DataBase Reference)
- FDA UNII
- 7 R82695E · US7R82695E
- EPA Substance Registry System
- 1 · 1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-5-phenyl- (852-38-0)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryMay cause irritation; [Aldrich MSDS] See Biphenyl.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesSuitable as a laser dye; [Santa Cruz Biotechnology, Inc.]
General Manufacturing Information1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-5-phenyl-: ACTIVE
Applications
Description2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole is a small-molecule laser dye.
UsesSuitable as laser dye
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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