4-Chlororesorcinol
TL;DR: 4-Chlororesorcinol (CAS 95-88-5) is a chemical compound with molecular formula C6H5ClO2 and molecular weight 143.9978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chlorobenzene-1,3-diol
Also Known As: 4-Chlororesorcinol, 4-chlorobenzene-1,3-diol, 4-Chlororesorcin, p-Chlororesorcinol, 6-Chlororesorcinol
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5ClO2 |
| Molecular Weight | 143.9978 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.9978 Da |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
| Vapor Pressure | 0.0012 [mmHg] |
| SMILES | C1=CC(=C(C=C1O)O)Cl |
| InChIKey | JQVAPEJNIZULEK-UHFFFAOYSA-N |
Product Description
Applications: 4-Chlororesorcinol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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-Chlororesorcinol is a pharmaceutical intermediate identified by CAS number 95-88-5 and the molecular formula C6H5ClO2 and a molecular weight of 144 g/mol. Synonyms include 4-Chlororesorcinol and 4-chlorobenzene-1,3-diol.
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-Chlororesorcinol
Property Insights of 4-Chlororesorcinol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlororesorcinol. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Chlororesorcinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlororesorcinol has 2 hydrogen bond donor(s) and 2 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-Chlororesorcinol?
The CAS number of 4-Chlororesorcinol is 95-88-5.
What is the molecular formula of 4-Chlororesorcinol?
The molecular formula of 4-Chlororesorcinol is C6H5ClO2.
What is the molecular weight of 4-Chlororesorcinol?
The molecular weight of 4-Chlororesorcinol is 143.9978 g/mol.
What are the applications of 4-Chlororesorcinol?
4-Chlororesorcinol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Chlororesorcinol?
You can request a quote for 4-Chlororesorcinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlororesorcinol?
Yes, CoreyChem provides custom synthesis services for 4-Chlororesorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.