Cas no 97038-97-6 (1,1'-Biphenyl,2,2',4,4',6-pentabromo-)
97038-97-6 structure
Product Name:1,1'-Biphenyl,2,2',4,4',6-pentabromo-
CAS No:97038-97-6
MF:C12H5Br5
MW:548.688099622726
CID:812986
PubChem ID:154511
Update Time:2025-04-19
1,1'-Biphenyl,2,2',4,4',6-pentabromo- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl,2,2',4,4',6-pentabromo-
- 1,3,5-tribromo-2-(2,4-dibromophenyl)benzene
- UNII-DBE7HRP94J
- DTXSID70242677
- 2,2',4,4',6-Pentabromobiphenyl
- 97038-97-6
- Q27276314
- NS00120753
- DBE7HRP94J
- 2,2',4,4',6-Pentabromo-1,1'-biphenyl
- 1,1'-Biphenyl, 2,2',4,4',6-pentabromo-
- PBB 100
-
- Inchi： 1S/C12H5Br5/c13-6-1-2-8(9(15)3-6)12-10(16)4-7(14)5-11(12)17/h1-5H
- InChI Key： CNHYHTHMZVENHC-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C=1C1C=CC(=CC=1Br)Br)Br)Br
Computed Properties
- Exact Mass: 547.627
- Monoisotopic Mass: 543.631
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 247
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 7
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 2.328
- Boiling Point: 436.3°Cat760mmHg
- Flash Point: 210.3°C
- Refractive Index: 1.682
1,1'-Biphenyl,2,2',4,4',6-pentabromo- Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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