Cas no 52497-29-7 ( )
structure
Product Name:
CAS No:52497-29-7
MF:C20H12Br2O2
MW:444.116084098816
CID:937019
PubChem ID:262960
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- [4-(4-bromobenzoyl)phenyl]-(4-bromophenyl)methanone
- AC1L68N0
- AC1Q5DQE
- AR-1H8379
- benzene-1,4-diylbis[(4-bromophenyl)methanone]
- CTK1G9850
- NSC97076
- NSC-97076
- SureCN9126141
- HS-4041
- [4-(4-bromobenzoyl)phenyl](4-bromophenyl)methanone
- SCHEMBL9126141
- 1,4-bis-(4'bromobenzoyl) benzene
- 52497-29-7
- 1,4-Bis(4-bromobenzoyl)benzene
- DTXSID50294553
- 1,4-phenylenebis((4-bromophenyl)methanone)
-
-
- Inchi： 1S/C20H12Br2O2/c21-17-9-5-15(6-10-17)19(23)13-1-2-14(4-3-13)20(24)16-7-11-18(22)12-8-16/h1-12H
- InChI Key： NLWHQOBLFPHATE-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C(C1C=CC(C(C2C=CC(=CC=2)Br)=O)=CC=1)=O
Computed Properties
- Exact Mass: 441.92036
- Monoisotopic Mass: 441.92
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 399
- 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: 6
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 1.597
- Boiling Point: 539°C at 760 mmHg
- Flash Point: 134.6°C
- Refractive Index: 1.648
- PSA: 34.14
- LogP: 5.67360
Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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