4-Chloro-2-nitrophenol
TL;DR: 4-Chloro-2-nitrophenol (CAS 89-64-5) is a chemical compound with molecular formula C6H4ClNO3 and molecular weight 172.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-nitrophenol
Also Known As: 4-CHLORO-2-NITROPHENOL, 2-Nitro-4-chlorophenol, Purmorphamine, Phenol, 4-chloro-2-nitro-, 4-chloro-2-nitro-phenol
| Molecular Formula | C6H4ClNO3 |
|---|---|
| Molecular Weight | 172.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.98798 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
| Vapor Pressure | 0.00778 [mmHg] |
Chemical Identifiers
| CAS Number | 89-64-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])O |
| InChIKey | NWSIFTLPLKCTSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-nitrophenol (CAS 89-64-5), with molecular formula C6H4ClNO3 and molecular weight 172.99 g/mol. IUPAC: 4-chloro-2-nitrophenol.
Chemical Property Profile of 4-Chloro-2-nitrophenol
Property Insights of 4-Chloro-2-nitrophenol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-nitrophenol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-nitrophenol. Following Lipinski's Rule of Five, 4-Chloro-2-nitrophenol has 1 hydrogen bond donor(s) and 3 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-nitrophenol?
The CAS number of 4-Chloro-2-nitrophenol is 89-64-5.
What is the molecular formula of 4-Chloro-2-nitrophenol?
The molecular formula of 4-Chloro-2-nitrophenol is C6H4ClNO3.
What is the molecular weight of 4-Chloro-2-nitrophenol?
The molecular weight of 4-Chloro-2-nitrophenol is 172.99 g/mol.
Where can I buy 4-Chloro-2-nitrophenol?
You can request a quote for 4-Chloro-2-nitrophenol 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-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.