1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene
TL;DR: 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene (CAS 66580-20-9) is a chemical compound with molecular formula C12H3Cl5N2O5 and molecular weight 429.85 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-dinitrophenoxy)benzene
Also Known As: KST-1B7177, 1,2,3,4,5-pentachloro-6-(2,4-dinitrophenoxy)benzene, 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzenato, Benzene,1,2,3,4,5-pentachloro-6-(2,4-dinitrophenoxy)-
| Molecular Formula | C12H3Cl5N2O5 |
|---|---|
| Molecular Weight | 429.85 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 429.84845 |
| Heavy Atoms | 24 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 66580-20-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl |
| InChIKey | CLAUHXSEYLJTIH-UHFFFAOYSA-N |
Product Overview
1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene (CAS 66580-20-9), with molecular formula C12H3Cl5N2O5 and molecular weight 429.85 g/mol. IUPAC: 1,2,3,4,5-pentachloro-6-(2,4-dinitrophenoxy)benzene.
Chemical Property Profile of 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene
Property Insights of 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene
The XLogP value of 6.2 indicates that 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene. Following Lipinski's Rule of Five, 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene has 0 hydrogen bond donor(s) and 5 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-dinitrophenoxy)benzene?
The CAS number of 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene is 66580-20-9.
What is the molecular formula of 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene?
The molecular formula of 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene is C12H3Cl5N2O5.
What is the molecular weight of 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene?
The molecular weight of 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene is 429.85 g/mol.
Where can I buy 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene?
You can request a quote for 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)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-dinitrophenoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5-Pentachloro-6-(2,4-dinitrophenoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.