2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl
TL;DR: 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl (CAS 153341-05-0) is a chemical compound with molecular formula C15H7N3O12 and molecular weight 421.00296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4,6-trinitrophenyl)benzene-1,3,5-tricarboxylic acid
Also Known As: 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl, 2-(2,4,6-trinitrophenyl)benzene-1,3,5-tricarboxylic acid, [1,1'-Biphenyl]-2,4,6-tricarboxylicacid, 2',4',6'-trinitro-, 2',4',6'-Trinitro[1,1'-biphenyl]-2,4,6-tricarboxylic acid
Technical Specifications
| Molecular Formula | C15H7N3O12 |
| Molecular Weight | 421.00296 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 249.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.00296 Da |
| Heavy Atoms | 30 |
| Complexity | 720.0 |
| SMILES | C1=C(C=C(C(=C1C(=O)O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O |
| InChIKey | JZSLAHQVOVJZJL-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl
Property Insights of 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl. The TPSA of 249.0 Ų indicates high polarity, suggesting 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl?
The CAS number of 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl is 153341-05-0.
What is the molecular formula of 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl?
The molecular formula of 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl is C15H7N3O12.
What is the molecular weight of 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl?
The molecular weight of 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl is 421.00296 g/mol.
Where can I buy 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl?
You can request a quote for 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Trinitro-2',4',6'-tricarboxybiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.