2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl
TL;DR: 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl (CAS 3905-96-2) is a chemical compound with molecular formula C12F8N2O4 and molecular weight 387.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,5-tetrafluoro-3-nitro-6-(2,3,5,6-tetrafluoro-4-nitrophenyl)benzene
Also Known As: 4,4'-Dinitrooctafluorobiphenyl, 4,4'-dinitrooctafluorodiphenyl, C12F8N2O4, 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl, 1,2,4,5-tetrafluoro-3-nitro-6-(2,3,5,6-tetrafluoro-4-nitrophenyl)benzene
| Molecular Formula | C12F8N2O4 |
|---|---|
| Molecular Weight | 387.97 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 1 |
| Exact Mass | 387.97302 |
| Heavy Atoms | 26 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 3905-96-2 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1F)F)[N+](=O)[O-])F)F)C2=C(C(=C(C(=C2F)F)[N+](=O)[O-])F)F |
| InChIKey | FHSUVJURYZPEIO-UHFFFAOYSA-N |
Product Overview
2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl (CAS 3905-96-2), with molecular formula C12F8N2O4 and molecular weight 387.97 g/mol. IUPAC: 1,2,4,5-tetrafluoro-3-nitro-6-(2,3,5,6-tetrafluoro-4-nitrophenyl)benzene.
Chemical Property Profile of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl
Property Insights of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl
The XLogP value of 4.0 indicates that 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl. Following Lipinski's Rule of Five, 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl has 0 hydrogen bond donor(s) and 12 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'-Octafluoro-4,4'-dinitro-1,1'-biphenyl?
The CAS number of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl is 3905-96-2.
What is the molecular formula of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl?
The molecular formula of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl is C12F8N2O4.
What is the molecular weight of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl?
The molecular weight of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl is 387.97 g/mol.
Where can I buy 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl?
You can request a quote for 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl 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'-Octafluoro-4,4'-dinitro-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.