1,3-Diphenylisobenzofuran
Basic information
- CAS
5471-63-6- Standard SMILES
c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1- InChIKey
ZKSVYBRJSMBDMV-UHFFFAOYSA-N- Molecular formula
- C20H14O
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.10446507
Overview
quencher of singlet oxygen, inhibits arachidonic acid induced platelet aggregation
Names & identifiers
- Preferred name
- 1,3-Diphenylisobenzofuran
- IUPAC
- 1,3-diphenyl-2-benzofuran
- English name
- 1,3-Diphenylisobenzofuran
- Molecular formula
- C20H14O
- Molecular weight
- 270.32
Names & synonyms
1,3-DIPHENYLISOBENZOFURAN5471-63-6DiphenylisobenzofuranOQ2CY31MDTNSC-28407DTXSID40203179RefChem:5889111,3-DPBFDTXCID90125670226-808-51,3-Diphenyl-2-benzofuranIsobenzofuran, 1,3-diphenyl-
Show more names
DIBSKL177Diphenylbenzofuran1,3-Diphenylisobenzofurane
DPBFMFCD000059311,3 Diphenylisobenzofuran1,3-Diphenylbenzo[c]furan2,5-Diphenyl-3,4-benzofuran1,3-DIPHENYLBENZO(C)FURANEINECS 226-808-5NSC 28407
Database identifiers
- CAS
5471-63-6- PubChem CID
- 21649
- DTXSID
DTXSID40203179- UNII
- OQ2CY31MDT
- EC Number
- 226-808-5
- Nikkaji
- J147.222D
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 128 · 128-130 °C (lit.)
- Boiling point
- 373.44 °C · 373.44°C (rough estimate)
- Density
- 1.0717 · 1.0717 (rough estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- form
- Crystalline Solid or Needles
- color
- Yellow to green
- Water Solubility
- Soluble in toluene. Insoluble in water.
- Sensitive
- Air & Light Sensitive
- BRN
- 199922 · 199922
- InChI
- InChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H
- InChIKey
- ZKSVYBRJSMBDMV-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC=C2)=C2C(C=CC=C2)=C(C2=CC=CC=C2)O1
- CAS DataBase Reference
- 5471 · 5471-63-6(CAS DataBase Reference)
- FDA UNII
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
Regulatory InformationIsobenzofuran, 1,3-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29329990
- risk_code
- 22-24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses1,3-Diphenylisobenzofuran is a useful research chemical.
Uses1,3-Diphenylisobenzofuran(DPBF) was used as a fluorescent probe for detection of superoxide anion radical (O2) inside the membrane lipid layer by DPBF fluorescence quenching method. 1,3-Diphenylisobenzofuran(DPBF) was used as quencher during the photoinactivation of TA-3 mouse mammary carcinoma cells containing hematoporphyrin. 1,3-Diphenylisobenzofuran(DPBF) was used to study the single crystal molecular structure and solution photophysical properties of DPBF.
General Description1,3-Diphenylisobenzofuran is a fluorescent dye.1,3-Diphenylisobenzofuran is the model compound in studies of singlet fission.
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Compound notes
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