Cas no 446254-56-4 (BENZENE, 1,2,3-TRIBROMO-4-(2,6-DIBROMOPHENOXY)-)
446254-56-4 structure
Product Name:BENZENE, 1,2,3-TRIBROMO-4-(2,6-DIBROMOPHENOXY)-
CAS No:446254-56-4
MF:C12H5Br5O
MW:564.687499761581
CID:3365524
PubChem ID:13828346
Update Time:2025-04-21
BENZENE, 1,2,3-TRIBROMO-4-(2,6-DIBROMOPHENOXY)- Chemical and Physical Properties
Names and Identifiers
-
- BENZENE, 1,2,3-TRIBROMO-4-(2,6-DIBROMOPHENOXY)-
- 6212VBC8QR
- Q27263409
- BDE-89
- 446254-56-4
- DTXSID50879905
- PBDE 89
- 2,2',3,4,6'-Pentabromodiphenyl ether
- UNII-6212VBC8QR
-
- Inchi： 1S/C12H5Br5O/c13-6-4-5-9(11(17)10(6)16)18-12-7(14)2-1-3-8(12)15/h1-5H
- InChI Key： XGFLJLJXVIMCNR-UHFFFAOYSA-N
- SMILES： C1(Br)=CC=C(OC2=C(Br)C=CC=C2Br)C(Br)=C1Br
Computed Properties
- Exact Mass: 563.62163Da
- Monoisotopic Mass: 559.62573Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 267
- 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: 6.9
- Topological Polar Surface Area: 9.2?2
BENZENE, 1,2,3-TRIBROMO-4-(2,6-DIBROMOPHENOXY)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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