2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl
TL;DR: 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl (CAS 153341-04-9) is a chemical compound with molecular formula C14H6N4O12 and molecular weight 421.99823 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitro-4-(2,4,6-trinitrophenyl)benzene-1,3-dicarboxylic acid
Also Known As: 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl, 5-nitro-4-(2,4,6-trinitrophenyl)benzene-1,3-dicarboxylic acid, 2,4,6,2/'-Tetranitro-4/',6/'-dicarboxybiphenyl, [1,1'-Biphenyl]-2,4-dicarboxylicacid, 2',4',6,6'-tetranitro-, 2',4',6,6'-Tetranitro[1,1'-biphenyl]-2,4-dicarboxylic acid
Technical Specifications
| Molecular Formula | C14H6N4O12 |
| Molecular Weight | 421.99823 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 258.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.99823 Da |
| Heavy Atoms | 30 |
| Complexity | 741.0 |
| SMILES | C1=C(C=C(C(=C1C(=O)O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| InChIKey | UZMXCLUPZRUZJH-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl
Property Insights of 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl. The TPSA of 258.0 Ų indicates high polarity, suggesting 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl has 2 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 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl?
The CAS number of 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl is 153341-04-9.
What is the molecular formula of 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl?
The molecular formula of 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl is C14H6N4O12.
What is the molecular weight of 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl?
The molecular weight of 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl is 421.99823 g/mol.
Where can I buy 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl?
You can request a quote for 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl?
Yes, CoreyChem provides custom synthesis services for 2,4,6,2'-Tetranitro-4',6'-dicarboxybiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.