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 172.98798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4ClNO3 |
| Molecular Weight | 172.98798 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.98798 Da |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
| Vapor Pressure | 0.00778 [mmHg] |
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])O |
| InChIKey | NWSIFTLPLKCTSX-UHFFFAOYSA-N |
Product Description
Applications: 4-Chloro-2-nitrophenol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-Chloro-2-nitrophenol is a heterocyclic building block identified by CAS number 89-64-5 and the molecular formula C6H4ClNO3 and a molecular weight of 172.99 g/mol. Synonyms include 4-CHLORO-2-NITROPHENOL and 2-Nitro-4-chlorophenol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 172.98798 g/mol.
What are the applications of 4-Chloro-2-nitrophenol?
4-Chloro-2-nitrophenol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy 4-Chloro-2-nitrophenol?
You can request a quote for 4-Chloro-2-nitrophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2-nitrophenol?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.