1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene
TL;DR: 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene (CAS 89793-61-3) is a chemical compound with molecular formula C12H2Cl5N3O7 and molecular weight 474.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentachloro-6-(2,4,6-trinitrophenoxy)benzene
Also Known As: Pentachlorphenylhydrazin, KST-1B9083, 1,2,3,4,5-pentachloro-6-(2,4,6-trinitrophenoxy)benzene, Benzene,1,2,3,4,5-pentachloro-6-(2,4,6-trinitrophenoxy)-
| Molecular Formula | C12H2Cl5N3O7 |
|---|---|
| Molecular Weight | 474.83 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 474.83353 |
| Heavy Atoms | 27 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 89793-61-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YDAIIMBJYHNCHW-UHFFFAOYSA-N |
Product Overview
1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene (CAS 89793-61-3), with molecular formula C12H2Cl5N3O7 and molecular weight 474.83 g/mol. IUPAC: 1,2,3,4,5-pentachloro-6-(2,4,6-trinitrophenoxy)benzene.
Chemical Property Profile of 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene
Property Insights of 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene
The XLogP value of 6.1 indicates that 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene?
The CAS number of 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene is 89793-61-3.
What is the molecular formula of 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene?
The molecular formula of 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene is C12H2Cl5N3O7.
What is the molecular weight of 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene?
The molecular weight of 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene is 474.83 g/mol.
Where can I buy 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene?
You can request a quote for 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5-Pentachloro-6-(2,4,6-trinitrophenoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.