1,1'-Biphenyl, 2,2',4-trinitro-
TL;DR: 1,1'-Biphenyl, 2,2',4-trinitro- (CAS 36712-35-3) is a chemical compound with molecular formula C12H7N3O6 and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-1-(2-nitrophenyl)benzene
Also Known As: 2,4,2'-Trinitrobiphenyl, Biphenyl, 2,2',4-trinitro-, Biphenyl,2',4-trinitro-, Biphenyl,2,2',4-trinitro, 1, 2,2',4-trinitro-
| Molecular Formula | C12H7N3O6 |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.03348 |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 36712-35-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JTJBOKJQQFQURC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-Biphenyl, 2,2',4-trinitro- (CAS 36712-35-3), with molecular formula C12H7N3O6 and molecular weight 289.03 g/mol. IUPAC: 2,4-dinitro-1-(2-nitrophenyl)benzene.
Chemical Property Profile of 1,1'-Biphenyl, 2,2',4-trinitro-
Property Insights of 1,1'-Biphenyl, 2,2',4-trinitro-
The XLogP value of 3.4 indicates that 1,1'-Biphenyl, 2,2',4-trinitro- 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 1,1'-Biphenyl, 2,2',4-trinitro-. Following Lipinski's Rule of Five, 1,1'-Biphenyl, 2,2',4-trinitro- 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
Frequently Asked Questions
What is the CAS number of 1,1'-Biphenyl, 2,2',4-trinitro-?
The CAS number of 1,1'-Biphenyl, 2,2',4-trinitro- is 36712-35-3.
What is the molecular formula of 1,1'-Biphenyl, 2,2',4-trinitro-?
The molecular formula of 1,1'-Biphenyl, 2,2',4-trinitro- is C12H7N3O6.
What is the molecular weight of 1,1'-Biphenyl, 2,2',4-trinitro-?
The molecular weight of 1,1'-Biphenyl, 2,2',4-trinitro- is 289.03 g/mol.
Where can I buy 1,1'-Biphenyl, 2,2',4-trinitro-?
You can request a quote for 1,1'-Biphenyl, 2,2',4-trinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Biphenyl, 2,2',4-trinitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Biphenyl, 2,2',4-trinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.