1,2,4-三硝基苯
TL;DR: 1,2,4-三硝基苯 (CAS 610-31-1) is a chemical compound with molecular formula C6H3N3O6 and molecular weight 213.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-三硝基苯
1,2,4-trinitrobenzene
Also Known As: 1,2,4-Trinitrobenzene, Ethyl 2-nitrobenzoate, 1,2,4-Trinitrobenzol, Benzene, 1,2,4-trinitro-, Benzene,1,2,4-trinitro-
| Molecular Formula | C6H3N3O6 |
|---|---|
| Molecular Weight | 213.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.00218 |
| Heavy Atoms | 15 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 610-31-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OJJRABFYHOHGGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-三硝基苯 (CAS 610-31-1), with molecular formula C6H3N3O6 and molecular weight 213.00 g/mol. IUPAC: 1,2,4-trinitrobenzene.
Chemical Property Profile of 1,2,4-三硝基苯
Property Insights of 1,2,4-三硝基苯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-三硝基苯. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-三硝基苯. Following Lipinski's Rule of Five, 1,2,4-三硝基苯 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 1,2,4-三硝基苯?
The CAS number of 1,2,4-三硝基苯 is 610-31-1.
What is the molecular formula of 1,2,4-三硝基苯?
The molecular formula of 1,2,4-三硝基苯 is C6H3N3O6.
What is the molecular weight of 1,2,4-三硝基苯?
The molecular weight of 1,2,4-三硝基苯 is 213.00 g/mol.
Where can I buy 1,2,4-三硝基苯?
You can request a quote for 1,2,4-三硝基苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-三硝基苯?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-三硝基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.