3-Chloro-4-nitrophenol
TL;DR: 3-Chloro-4-nitrophenol (CAS 491-11-2) 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.
3-chloro-4-nitrophenol
Also Known As: 3-CHLORO-4-NITROPHENOL, Phenol, 3-chloro-4-nitro-, 4-nitro-3-chlorophenol, 2-Chloro-4-hydroxynitrobenzene, 3-Chloro-4-nitro-phenol
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4ClNO3 |
| Molecular Weight | 172.98798 g/mol |
| XLogP | 2.1 |
| 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 |
| SMILES | C1=CC(=C(C=C1O)Cl)[N+](=O)[O-] |
| InChIKey | DKTRZBWXGOPYIX-UHFFFAOYSA-N |
Product Description
Applications: 3-Chloro-4-nitrophenol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Chloro-4-nitrophenol (CAS 491-11-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 3-Chloro-4-nitrophenol (CAS 491-11-2) has the molecular formula C6H4ClNO3 and a molecular weight of 172.99 g/mol. It is also known as 3-CHLORO-4-NITROPHENOL and Phenol, 3-chloro-4-nitro-.
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 3-Chloro-4-nitrophenol
Property Insights of 3-Chloro-4-nitrophenol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-nitrophenol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-nitrophenol. Following Lipinski's Rule of Five, 3-Chloro-4-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 3-Chloro-4-nitrophenol?
The CAS number of 3-Chloro-4-nitrophenol is 491-11-2.
What is the molecular formula of 3-Chloro-4-nitrophenol?
The molecular formula of 3-Chloro-4-nitrophenol is C6H4ClNO3.
What is the molecular weight of 3-Chloro-4-nitrophenol?
The molecular weight of 3-Chloro-4-nitrophenol is 172.98798 g/mol.
What are the applications of 3-Chloro-4-nitrophenol?
3-Chloro-4-nitrophenol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Chloro-4-nitrophenol (CAS...
Where can I buy 3-Chloro-4-nitrophenol?
You can request a quote for 3-Chloro-4-nitrophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-4-nitrophenol?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.