1,3,5-三氯-2,4,6-三硝基苯
TL;DR: 1,3,5-三氯-2,4,6-三硝基苯 (CAS 2631-68-7) is a chemical compound with molecular formula C6Cl3N3O6 and molecular weight 314.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-三氯-2,4,6-三硝基苯
1,3,5-trichloro-2,4,6-trinitrobenzene
Also Known As: Bulbosan, 1,3,5-Trichloro-2,4,6-trinitrobenzene, TCTNB, sym-Trichlorotrinitrobenzene, Trichloro-1,3,5-trinitrobenzene
| Molecular Formula | C6Cl3N3O6 |
|---|---|
| Molecular Weight | 314.89 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.88525 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
| Vapor Pressure | 0.00000022 [mmHg] |
Chemical Identifiers
| CAS Number | 2631-68-7 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)[N+](=O)[O-] |
| InChIKey | LZMONXBJUOXABQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-三氯-2,4,6-三硝基苯 (CAS 2631-68-7), with molecular formula C6Cl3N3O6 and molecular weight 314.89 g/mol. IUPAC: 1,3,5-trichloro-2,4,6-trinitrobenzene.
Chemical Property Profile of 1,3,5-三氯-2,4,6-三硝基苯
Property Insights of 1,3,5-三氯-2,4,6-三硝基苯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-三氯-2,4,6-三硝基苯. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-三氯-2,4,6-三硝基苯. Following Lipinski's Rule of Five, 1,3,5-三氯-2,4,6-三硝基苯 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 1,3,5-三氯-2,4,6-三硝基苯?
The CAS number of 1,3,5-三氯-2,4,6-三硝基苯 is 2631-68-7.
What is the molecular formula of 1,3,5-三氯-2,4,6-三硝基苯?
The molecular formula of 1,3,5-三氯-2,4,6-三硝基苯 is C6Cl3N3O6.
What is the molecular weight of 1,3,5-三氯-2,4,6-三硝基苯?
The molecular weight of 1,3,5-三氯-2,4,6-三硝基苯 is 314.89 g/mol.
Where can I buy 1,3,5-三氯-2,4,6-三硝基苯?
You can request a quote for 1,3,5-三氯-2,4,6-三硝基苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-三氯-2,4,6-三硝基苯?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-三氯-2,4,6-三硝基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.