2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl
TL;DR: 2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl (CAS 361-93-3) is a chemical compound with molecular formula C14H6F6N2O4 and molecular weight 380.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene
Also Known As: Maybridge1_002746, DivK1c_001498, CDS1_000458, 2,2'-dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl, 2-nitro-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene
| Molecular Formula | C14H6F6N2O4 |
|---|---|
| Molecular Weight | 380.02 g/mol |
| LogP | 5.2076 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.02316 |
| Heavy Atoms | 26 |
| Complexity | 818.4813 |
Chemical Identifiers
| CAS Number | 361-93-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl (CAS 361-93-3), with molecular formula C14H6F6N2O4 and molecular weight 380.02 g/mol. IUPAC: 2-nitro-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene.
Chemical Property Profile of 2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl
Property Insights of 2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl
The XLogP value of 5.2076 indicates that 2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl. Following Lipinski's Rule of Five, 2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl has 0 hydrogen bond donor(s) and 4 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'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl?
The CAS number of 2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl is 361-93-3.
What is the molecular formula of 2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl?
The molecular formula of 2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl is C14H6F6N2O4.
What is the molecular weight of 2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl?
The molecular weight of 2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl is 380.02 g/mol.
Where can I buy 2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl?
You can request a quote for 2,2'-Dinitro-4,4'-bis(trifluoromethyl)-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'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Dinitro-4,4'-bis(trifluoromethyl)-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.