3,5-二氯苯酚
TL;DR: 3,5-二氯苯酚 (CAS 591-35-5) is a chemical compound with molecular formula C6H4Cl2O and molecular weight 161.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二氯苯酚
3,5-dichlorophenol
Also Known As: 3,5-DICHLOROPHENOL, Phenol, 3,5-dichloro-, null, 3,5-Dichloro-phenol, 3,5 dichlorophenol
| Molecular Formula | C6H4Cl2O |
|---|---|
| Molecular Weight | 161.96 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.96391 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
| Melting Point | 67.8 °C |
| Boiling Point | 232.8 °C at 760 mmHg |
| Density | Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.0 |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 0.08 [mmHg] |
Chemical Identifiers
| CAS Number | 591-35-5 |
|---|---|
| SMILES | C1=C(C=C(C=C1Cl)Cl)O |
| InChIKey | VPOMSPZBQMDLTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二氯苯酚 (CAS 591-35-5), with molecular formula C6H4Cl2O and molecular weight 161.96 g/mol. IUPAC: 3,5-dichlorophenol.
Chemical Property Profile of 3,5-二氯苯酚
Property Insights of 3,5-二氯苯酚
The XLogP value of 3.6 indicates that 3,5-二氯苯酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3,5-二氯苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二氯苯酚 has 1 hydrogen bond donor(s) and 1 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 3,5-二氯苯酚?
The CAS number of 3,5-二氯苯酚 is 591-35-5.
What is the molecular formula of 3,5-二氯苯酚?
The molecular formula of 3,5-二氯苯酚 is C6H4Cl2O.
What is the molecular weight of 3,5-二氯苯酚?
The molecular weight of 3,5-二氯苯酚 is 161.96 g/mol.
Where can I buy 3,5-二氯苯酚?
You can request a quote for 3,5-二氯苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二氯苯酚?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二氯苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.