3,4,4'-Trinitrobiphenyl
TL;DR: 3,4,4'-Trinitrobiphenyl (CAS 106323-84-6) is a chemical compound with molecular formula C12H7N3O6 and molecular weight 289.03348 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dinitro-4-(4-nitrophenyl)benzene
Also Known As: 3,4,4'-Trinitrobiphenyl, 1,2-dinitro-4-(4-nitrophenyl)benzene, 1,1'-BIPHENYL, 3,4,4'-TRINITRO-, 1,1'-Biphenyl,3,4,4'-trinitro-, 3,4,4'-TRINITRO-1,1'-BIPHENYL
Technical Specifications
| Molecular Formula | C12H7N3O6 |
| Molecular Weight | 289.03348 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.03348 Da |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
| SMILES | C1=CC(=CC=C1C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ACCXYWNIHRFTOP-UHFFFAOYSA-N |
Chemical Property Profile of 3,4,4'-Trinitrobiphenyl
Property Insights of 3,4,4'-Trinitrobiphenyl
The XLogP value of 3.2 indicates that 3,4,4'-Trinitrobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,4'-Trinitrobiphenyl. Following Lipinski's Rule of Five, 3,4,4'-Trinitrobiphenyl has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4,4'-Trinitrobiphenyl?
The CAS number of 3,4,4'-Trinitrobiphenyl is 106323-84-6.
What is the molecular formula of 3,4,4'-Trinitrobiphenyl?
The molecular formula of 3,4,4'-Trinitrobiphenyl is C12H7N3O6.
What is the molecular weight of 3,4,4'-Trinitrobiphenyl?
The molecular weight of 3,4,4'-Trinitrobiphenyl is 289.03348 g/mol.
Where can I buy 3,4,4'-Trinitrobiphenyl?
You can request a quote for 3,4,4'-Trinitrobiphenyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4,4'-Trinitrobiphenyl?
Yes, CoreyChem provides custom synthesis services for 3,4,4'-Trinitrobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.