| Identification | More | [Name]
1,3-Diphenylisobenzofuran | [CAS]
5471-63-6 | [Synonyms]
1,3-DIPHENYL-2-BENZOFURAN
1,3-DIPHENYLISOBENZOFURAN
2,5-DIPHENYL-3,4-BENZOFURAN
DIB
1,3-Diphenylbenzo[c]furan
1,4-Diphenyl-2,3-benzofuran
Diphenylisobenzofuran
Isobenzofuran, 1,3-diphenyl-
Diphenylbenzofuran
1,3-DPBF
1,3-Diphenylisobenzofurane
1,3-Diphenylisobenzofuran, 99+%
1,3-Diphenyl-2-benzofuran, 2,5-Diphenyl-3,4-benzofuran | [EINECS(EC#)]
226-808-5 | [Molecular Formula]
C20H14O | [MDL Number]
MFCD00005931 | [Molecular Weight]
270.32 | [MOL File]
5471-63-6.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow to greenish needle-like crystalline solid | [Melting point ]
128-130 °C (lit.) | [Boiling point ]
373.44°C (rough estimate) | [density ]
1.0717 (rough estimate) | [refractive index ]
1.6700 (estimate) | [storage temp. ]
0-6°C | [form ]
Crystalline Solid or Needles | [color ]
Yellow to green | [Water Solubility ]
Soluble in toluene. Insoluble in water. | [Sensitive ]
Air & Light Sensitive | [BRN ]
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]
5471-63-6(CAS DataBase Reference) | [NIST Chemistry Reference]
1,3 Diphenylisobenzofuran(5471-63-6) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315-H319-H332-H335 | [Precautionary statements ]
P261-P280-P305+P351+P338 | [Risk Statements ]
R22:Harmful if swallowed.
R24/25:Toxic in contact with skin and if swallowed . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [F ]
8 | [HS Code ]
29329990 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
yellow to greenish needle-like crystalline solid | [General Description]
1,3-Diphenylisobenzofuran is a fluorescent dye.1,3-Diphenylisobenzofuran is the model compound in studies of singlet fission. | [Properties and Applications]
The photostability and fluorescence properties of 1,3-diphenylisobenzofuran (DPBF) has been studied. DPBF is found to be easily photolyzed even if it is only exposed to the weak daylight in halogen-containing solvents in the absence of singlet oxygen. DPBF in DMF, DMSO, etc., on the other hand, is stable enough to enable fluorescence measurements[1]. | [Purification Methods]
Recrystallise it from EtOH or EtOH/CHCl3 (1:1) under red light (as in photographic dark rooms) or from *benzene in the dark. [Beilstein 17/2 V 503.] | [References]
[1] Zhang, X.-F., & Li, X. (2011). The photostability and fluorescence properties of diphenylisobenzofuran. Journal of Luminescence, 131 11, Pages 2263-2266. https://doi.org/10.1016/j.jlumin.2011.05.048
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