Cas no 446254-94-0 (BENZENE, 1,1'-OXYBIS[2,3,6-TRIBROMO-)
446254-94-0 structure
Product Name:BENZENE, 1,1'-OXYBIS[2,3,6-TRIBROMO-
CAS No:446254-94-0
MF:C12H4Br6O
MW:643.583559036255
CID:3365547
PubChem ID:14149412
Update Time:2025-04-21
BENZENE, 1,1'-OXYBIS[2,3,6-TRIBROMO- Chemical and Physical Properties
Names and Identifiers
-
- BENZENE, 1,1'-OXYBIS[2,3,6-TRIBROMO-
- Benzene, 1,2,4-tribromo-3-(2,3,6-tribromophenoxy)-
- Q27251607
- 446254-94-0
- BDE-136
- DTXSID10879941
- PBDE 136
- UNII-14912NUR7W
- 14912NUR7W
- 2,2',3,3',6,6'-Hexabromodiphenyl ether
-
- Inchi： 1S/C12H4Br6O/c13-5-1-3-7(15)11(9(5)17)19-12-8(16)4-2-6(14)10(12)18/h1-4H
- InChI Key： NTWGDSLWLUPCDW-UHFFFAOYSA-N
- SMILES： C1(Br)=CC=C(Br)C(OC2=C(Br)C=CC(Br)=C2Br)=C1Br
Computed Properties
- Exact Mass: 643.53009Da
- Monoisotopic Mass: 637.53624Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 276
- 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: 7.6
- Topological Polar Surface Area: 9.2?2
BENZENE, 1,1'-OXYBIS[2,3,6-TRIBROMO- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Jason Wan Lab Chip, 2020,20, 4528-4538
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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