Cas no 446254-84-8 (BENZENE, 1,2,3-TRIBROMO-5-(2,5-DIBROMOPHENOXY)-)
446254-84-8 structure
Product Name:BENZENE, 1,2,3-TRIBROMO-5-(2,5-DIBROMOPHENOXY)-
CAS No:446254-84-8
MF:C12H5Br5O
MW:564.687499761581
CID:3365529
PubChem ID:86208554
Update Time:2025-04-21
BENZENE, 1,2,3-TRIBROMO-5-(2,5-DIBROMOPHENOXY)- Chemical and Physical Properties
Names and Identifiers
-
- BENZENE, 1,2,3-TRIBROMO-5-(2,5-DIBROMOPHENOXY)-
- 3I2QO8WHXJ
- 2,3',4',5,5'-Pentabromodiphenyl ether
- Q27257239
- BDE-124
- DTXSID20879932
- UNII-3I2QO8WHXJ
- 446254-84-8
- PBDE 124
-
- Inchi： 1S/C12H5Br5O/c13-6-1-2-8(14)11(3-6)18-7-4-9(15)12(17)10(16)5-7/h1-5H
- InChI Key： FGHJTAAHIFEHLT-UHFFFAOYSA-N
- SMILES： C1(Br)=CC(OC2=CC(Br)=CC=C2Br)=CC(Br)=C1Br
Computed Properties
- Exact Mass: 563.622
- Monoisotopic Mass: 559.626
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 265
- 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
- Topological Polar Surface Area: 9.2A^2
- XLogP3: 6.9
BENZENE, 1,2,3-TRIBROMO-5-(2,5-DIBROMOPHENOXY)- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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