Cas no 111863-67-3 (Phenol, 2,3,4,5-tetrabromo-6-(2,4-dibromophenoxy)-)
111863-67-3 structure
Product Name:Phenol, 2,3,4,5-tetrabromo-6-(2,4-dibromophenoxy)-
CAS No:111863-67-3
MF:C12H4Br6O2
MW:659.58295917511
CID:1199448
PubChem ID:9986835
Update Time:2025-04-20
Phenol, 2,3,4,5-tetrabromo-6-(2,4-dibromophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2,3,4,5-tetrabromo-6-(2,4-dibromophenoxy)phenol
- Phenol, 2,3,4,5-tetrabromo-6-(2,4-dibromophenoxy)-
- 6-OH-Bde 137
- 2,3,4,5-Tetrabromo-6-(2,4-dibromo-phenoxy)-phenol
- 3,4,5,6-tetrabromo-2-(2'',4''-dibromophenoxy)phenol
- 2-(2'',4''-dibromophenoxy-3,4,5,6-tetrabromophenol
- CHEMBL362761
- 3,4,5,6-Tetrabromo-2-(2',4'-dibromo-phenoxy)-phenol
- DTXSID50433647
- 2,3,4,5-tetrabromo-6-(2',4'-dibromophenoxy)phenol
- UNII-8K0A2EQF1O
- 111863-67-3
- PD180113
- 2-(2,4-Bis(bromanyl)phenoxy)-3,4,5,6-tetrakis(bromanyl)phenol
- 6-Hydroxy-2,2',3,4,4',5-hexabromodiphenylether
- 8K0A2EQF1O
- BDBM50150785
-
- Inchi： 1S/C12H4Br6O2/c13-4-1-2-6(5(14)3-4)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3,19H
- InChI Key： LDMKXEGTHGJWLG-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=C(C(=C1OC1C=CC(=CC=1Br)Br)O)Br)Br)Br
Computed Properties
- Exact Mass: 653.53092
- Monoisotopic Mass: 653.53115g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 333
- 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: 7.2
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
Phenol, 2,3,4,5-tetrabromo-6-(2,4-dibromophenoxy)- Related Literature
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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