3,4-二氯苯酚
TL;DR: 3,4-二氯苯酚 (CAS 95-77-2) 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.
3,4-二氯苯酚
3,4-dichlorophenol
Also Known As: 3,4-DICHLOROPHENOL, Phenol, 3,4-dichloro-, 4,5-Dichlorophenol, null, 3,4-dichlorphenol
| Molecular Formula | C6H4Cl2O |
|---|---|
| Molecular Weight | 161.96 g/mol |
| LogP | 3.3 |
| 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 | 97.0 |
| Melting Point | 151 to 67.8 °C |
| Boiling Point | 253.5 °C at 767 mmHg |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 0.01 [mmHg] |
Chemical Identifiers
| CAS Number | 95-77-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)Cl)Cl |
| InChIKey | WDNBURPWRNALGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二氯苯酚 (CAS 95-77-2), with molecular formula C6H4Cl2O and molecular weight 161.96 g/mol. IUPAC: 3,4-dichlorophenol.
Chemical Property Profile of 3,4-二氯苯酚
Property Insights of 3,4-二氯苯酚
The XLogP value of 3.3 indicates that 3,4-二氯苯酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3,4-二氯苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二氯苯酚 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 3,4-二氯苯酚?
The CAS number of 3,4-二氯苯酚 is 95-77-2.
What is the molecular formula of 3,4-二氯苯酚?
The molecular formula of 3,4-二氯苯酚 is C6H4Cl2O.
What is the molecular weight of 3,4-二氯苯酚?
The molecular weight of 3,4-二氯苯酚 is 161.96 g/mol.
Where can I buy 3,4-二氯苯酚?
You can request a quote for 3,4-二氯苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二氯苯酚?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二氯苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.