3,3'-Dinitrobiphenyl
TL;DR: 3,3'-Dinitrobiphenyl (CAS 958-96-3) is a chemical compound with molecular formula C12H8N2O4 and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-(3-nitrophenyl)benzene
Also Known As: 3,3'-DINITROBIPHENYL, 3,3'-Dinitro-1,1'-biphenyl, 1-nitro-3-(3-nitrophenyl)benzene, 3,3'-Dinitro-biphenyl, BARIUMACRYLATE
| Molecular Formula | C12H8N2O4 |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.0484 |
| Heavy Atoms | 18 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 958-96-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | CCHRVFZBKRIKIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Dinitrobiphenyl (CAS 958-96-3), with molecular formula C12H8N2O4 and molecular weight 244.05 g/mol. IUPAC: 1-nitro-3-(3-nitrophenyl)benzene.
Chemical Property Profile of 3,3'-Dinitrobiphenyl
Property Insights of 3,3'-Dinitrobiphenyl
The XLogP value of 3.7 indicates that 3,3'-Dinitrobiphenyl 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 3,3'-Dinitrobiphenyl. Following Lipinski's Rule of Five, 3,3'-Dinitrobiphenyl has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-Dinitrobiphenyl?
The CAS number of 3,3'-Dinitrobiphenyl is 958-96-3.
What is the molecular formula of 3,3'-Dinitrobiphenyl?
The molecular formula of 3,3'-Dinitrobiphenyl is C12H8N2O4.
What is the molecular weight of 3,3'-Dinitrobiphenyl?
The molecular weight of 3,3'-Dinitrobiphenyl is 244.05 g/mol.
Where can I buy 3,3'-Dinitrobiphenyl?
You can request a quote for 3,3'-Dinitrobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dinitrobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dinitrobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.