氯代对苯二酚
TL;DR: 氯代对苯二酚 (CAS 615-67-8) is a chemical compound with molecular formula C6H5ClO2 and molecular weight 144.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯代对苯二酚
2-chlorobenzene-1,4-diol
Also Known As: chlorohydroquinone, 2-chlorobenzene-1,4-diol, 2-Chlorohydroquinone, Chloroquinol, Monochlorohydroquinone
| Molecular Formula | C6H5ClO2 |
|---|---|
| Molecular Weight | 144.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.9978 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
| Melting Point | 100 °C |
| Boiling Point | 263 °C |
| Solubility | VERY SOL IN WATER AND ALC, SLIGHTLY SOL IN ETHER |
Chemical Identifiers
| CAS Number | 615-67-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)Cl)O |
| InChIKey | AJPXTSMULZANCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯代对苯二酚 (CAS 615-67-8), with molecular formula C6H5ClO2 and molecular weight 144.00 g/mol. IUPAC: 2-chlorobenzene-1,4-diol.
Chemical Property Profile of 氯代对苯二酚
Property Insights of 氯代对苯二酚
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯代对苯二酚. With a topological polar surface area (TPSA) of 40.5 Ų, 氯代对苯二酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯代对苯二酚 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
Frequently Asked Questions
What is the CAS number of 氯代对苯二酚?
The CAS number of 氯代对苯二酚 is 615-67-8.
What is the molecular formula of 氯代对苯二酚?
The molecular formula of 氯代对苯二酚 is C6H5ClO2.
What is the molecular weight of 氯代对苯二酚?
The molecular weight of 氯代对苯二酚 is 144.00 g/mol.
Where can I buy 氯代对苯二酚?
You can request a quote for 氯代对苯二酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯代对苯二酚?
Yes, KEHONG BIO provides custom synthesis services for 氯代对苯二酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.