Cas no 21811-40-5 (3,4-bis(4-bromophenyl)-2,6-diphenylphenol)
21811-40-5 structure
Product Name:3,4-bis(4-bromophenyl)-2,6-diphenylphenol
CAS No:21811-40-5
MF:C30H20Br2O
MW:556.28720664978
CID:912032
PubChem ID:329846
Update Time:2025-04-19
3,4-bis(4-bromophenyl)-2,6-diphenylphenol Chemical and Physical Properties
Names and Identifiers
-
- 3,4-bis(4-bromophenyl)-2,6-diphenylphenol
- 21811-40-5
- NSC-314859
- DTXSID20317344
- NSC314859
-
- Inchi： 1S/C30H20Br2O/c31-24-15-11-21(12-16-24)26-19-27(20-7-3-1-4-8-20)30(33)29(22-9-5-2-6-10-22)28(26)23-13-17-25(32)18-14-23/h1-19,33H
- InChI Key： QYGVJOGZVSPYRJ-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1=C(C2C=CC(=CC=2)Br)C=C(C2C=CC=CC=2)C(=C1C1C=CC=CC=1)O
Computed Properties
- Exact Mass: 553.9881
- Monoisotopic Mass: 553.988
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 33
- Rotatable Bond Count: 4
- Complexity: 582
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.458
- Boiling Point: 560.4°C at 760 mmHg
- Flash Point: 292.7°C
- Refractive Index: 1.666
- PSA: 20.23
3,4-bis(4-bromophenyl)-2,6-diphenylphenol Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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