Tribromodiphenyl ether (mixed isomers)
TL;DR: Tribromodiphenyl ether (mixed isomers) (CAS 147217-78-5) is a chemical compound with molecular formula C12H7Br3O and molecular weight 403.8047 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dibromo-4-(2-bromophenoxy)benzene
Also Known As: Tribromodiphenyl ether, 2',3,4-tribromodiphenyl ether, Tribromodiphenylether, PBDE 33, 2,3',4'-Tribromodiphenyl ether
Technical Specifications
| Molecular Formula | C12H7Br3O |
| Molecular Weight | 403.8047 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.80264 Da |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
| SMILES | C1=CC=C(C(=C1)OC2=CC(=C(C=C2)Br)Br)Br |
| InChIKey | BUQBQEYUVAKJQK-UHFFFAOYSA-N |
Chemical Property Profile of Tribromodiphenyl ether (mixed isomers)
Property Insights of Tribromodiphenyl ether (mixed isomers)
The XLogP value of 5.5 indicates that Tribromodiphenyl ether (mixed isomers) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Tribromodiphenyl ether (mixed isomers) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tribromodiphenyl ether (mixed isomers) has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tribromodiphenyl ether (mixed isomers)?
The CAS number of Tribromodiphenyl ether (mixed isomers) is 147217-78-5.
What is the molecular formula of Tribromodiphenyl ether (mixed isomers)?
The molecular formula of Tribromodiphenyl ether (mixed isomers) is C12H7Br3O.
What is the molecular weight of Tribromodiphenyl ether (mixed isomers)?
The molecular weight of Tribromodiphenyl ether (mixed isomers) is 403.8047 g/mol.
Where can I buy Tribromodiphenyl ether (mixed isomers)?
You can request a quote for Tribromodiphenyl ether (mixed isomers) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tribromodiphenyl ether (mixed isomers)?
Yes, CoreyChem provides custom synthesis services for Tribromodiphenyl ether (mixed isomers) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.