Cas no 876310-26-8 (Benzene,1,3,5-tribromo-2-(3,4-dibromophenoxy)-4-fluoro-)
876310-26-8 structure
Product Name:Benzene,1,3,5-tribromo-2-(3,4-dibromophenoxy)-4-fluoro-
CAS No:876310-26-8
MF:C12H4Br5FO
MW:582.677963256836
CID:709905
PubChem ID:86096139
Update Time:2025-04-19
Benzene,1,3,5-tribromo-2-(3,4-dibromophenoxy)-4-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,3,5-tribromo-2-(3,4-dibromophenoxy)-4-fluoro-
- 3-Fluoro-2,3',4,4',6-pentabromodiphenyl ether
- 3-Fluoro-2,3,4,4,6-pentabromodiphenyl ether50μg
- F-BDE-119
- 1,3,5-tribromo-2-(3,4-dibromophenoxy)-4-fluorobenzene
- 2,3',4,4',6-Pentabromo-3-fluorodiphenyl ether
- DTXSID301016831
- 876310-26-8
-
- Inchi： 1S/C12H4Br5FO/c13-6-2-1-5(3-7(6)14)19-12-9(16)4-8(15)11(18)10(12)17/h1-4H
- InChI Key： XTZPKESTMFDUBW-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C=C(C=1OC1C=CC(=C(C=1)Br)Br)Br)Br)F
Computed Properties
- Exact Mass: 577.61600
- Monoisotopic Mass: 577.61631g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 308
- 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: 7
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23000
- LogP: 7.43050
Benzene,1,3,5-tribromo-2-(3,4-dibromophenoxy)-4-fluoro- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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