2,2',3,3',5,5',6,6'-Octabromobiphenyl
TL;DR: 2,2',3,3',5,5',6,6'-Octabromobiphenyl (CAS 59080-41-0) is a chemical compound with molecular formula C12H2Br8 and molecular weight 777.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,5-tetrabromo-3-(2,3,5,6-tetrabromophenyl)benzene
Also Known As: 2,3,5,6,2',3',5',6'-Octabromobiphenyl, 2,2',3,3',5,5',6,6'-Octabromobiphenyl, 2,2',3,3',5,5',6,6'-Octabromo-1,1'-biphenyl, J1.195.593B, 1,1'-Biphenyl, 2,2',3,3',5,5',6,6'-octabromo-
| Molecular Formula | C12H2Br8 |
|---|---|
| Molecular Weight | 777.36 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 777.36237 |
| Heavy Atoms | 20 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 59080-41-0 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Br)Br)C2=C(C(=CC(=C2Br)Br)Br)Br)Br)Br |
| InChIKey | IQIHDBRYKJLECA-UHFFFAOYSA-N |
Product Overview
2,2',3,3',5,5',6,6'-Octabromobiphenyl (CAS 59080-41-0), with molecular formula C12H2Br8 and molecular weight 777.36 g/mol. IUPAC: 1,2,4,5-tetrabromo-3-(2,3,5,6-tetrabromophenyl)benzene.
Chemical Property Profile of 2,2',3,3',5,5',6,6'-Octabromobiphenyl
Property Insights of 2,2',3,3',5,5',6,6'-Octabromobiphenyl
The XLogP value of 9.1 indicates that 2,2',3,3',5,5',6,6'-Octabromobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2',3,3',5,5',6,6'-Octabromobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',3,3',5,5',6,6'-Octabromobiphenyl has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2',3,3',5,5',6,6'-Octabromobiphenyl?
The CAS number of 2,2',3,3',5,5',6,6'-Octabromobiphenyl is 59080-41-0.
What is the molecular formula of 2,2',3,3',5,5',6,6'-Octabromobiphenyl?
The molecular formula of 2,2',3,3',5,5',6,6'-Octabromobiphenyl is C12H2Br8.
What is the molecular weight of 2,2',3,3',5,5',6,6'-Octabromobiphenyl?
The molecular weight of 2,2',3,3',5,5',6,6'-Octabromobiphenyl is 777.36 g/mol.
Where can I buy 2,2',3,3',5,5',6,6'-Octabromobiphenyl?
You can request a quote for 2,2',3,3',5,5',6,6'-Octabromobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',3,3',5,5',6,6'-Octabromobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,2',3,3',5,5',6,6'-Octabromobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.