六硝基二苯胺
TL;DR: 六硝基二苯胺 (CAS 131-73-7) is a chemical compound with molecular formula C12H5N7O12 and molecular weight 439.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六硝基二苯胺
2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
Also Known As: Dipicrylamine, Hexyl, Aurantia, Hexamine, Hexanitrodiphenylamine
| Molecular Formula | C12H5N7O12 |
|---|---|
| Molecular Weight | 439.00 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 287.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 2 |
| Exact Mass | 438.99963 |
| Heavy Atoms | 31 |
| Complexity | 662.0 |
| Melting Point | 244 °C (decomposes) |
| Solubility | Soluble in alkalies, glacial acetic acid; insoluble in acetone, alcohol, ether |
Chemical Identifiers
| CAS Number | 131-73-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CBCIHIVRDWLAME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六硝基二苯胺 (CAS 131-73-7), with molecular formula C12H5N7O12 and molecular weight 439.00 g/mol. IUPAC: 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline.
Chemical Property Profile of 六硝基二苯胺
Property Insights of 六硝基二苯胺
The XLogP value of 3.0 indicates that 六硝基二苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 287.0 Ų indicates high polarity, suggesting 六硝基二苯胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 六硝基二苯胺 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 六硝基二苯胺?
The CAS number of 六硝基二苯胺 is 131-73-7.
What is the molecular formula of 六硝基二苯胺?
The molecular formula of 六硝基二苯胺 is C12H5N7O12.
What is the molecular weight of 六硝基二苯胺?
The molecular weight of 六硝基二苯胺 is 439.00 g/mol.
Where can I buy 六硝基二苯胺?
You can request a quote for 六硝基二苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六硝基二苯胺?
Yes, KEHONG BIO provides custom synthesis services for 六硝基二苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.