4-Chloro-2,6-dinitrophenol
TL;DR: 4-Chloro-2,6-dinitrophenol (CAS 88-87-9) is a chemical compound with molecular formula C6H3ClN2O5 and molecular weight 217.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2,6-dinitrophenol
Also Known As: 4-CHLORO-2,6-DINITROPHENOL, 2,6-Dinitro-4-chlorophenol, Phenol,6-dinitro-, Phenol, 4-chloro-2,6-dinitro-, Phenol,4-chloro-2,6-dinitro-
| Molecular Formula | C6H3ClN2O5 |
|---|---|
| Molecular Weight | 217.97 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.97305 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 88-87-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])Cl |
| InChIKey | KESYALTWUAFAAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2,6-dinitrophenol (CAS 88-87-9), with molecular formula C6H3ClN2O5 and molecular weight 217.97 g/mol. IUPAC: 4-chloro-2,6-dinitrophenol.
Chemical Property Profile of 4-Chloro-2,6-dinitrophenol
Property Insights of 4-Chloro-2,6-dinitrophenol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,6-dinitrophenol. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2,6-dinitrophenol. Following Lipinski's Rule of Five, 4-Chloro-2,6-dinitrophenol has 1 hydrogen bond donor(s) and 5 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 4-Chloro-2,6-dinitrophenol?
The CAS number of 4-Chloro-2,6-dinitrophenol is 88-87-9.
What is the molecular formula of 4-Chloro-2,6-dinitrophenol?
The molecular formula of 4-Chloro-2,6-dinitrophenol is C6H3ClN2O5.
What is the molecular weight of 4-Chloro-2,6-dinitrophenol?
The molecular weight of 4-Chloro-2,6-dinitrophenol is 217.97 g/mol.
Where can I buy 4-Chloro-2,6-dinitrophenol?
You can request a quote for 4-Chloro-2,6-dinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,6-dinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,6-dinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.