3,4-Dichlorophenol
TL;DR: 3,4-Dichlorophenol (CAS 95-77-2) is a chemical compound with molecular formula C6H4Cl2O and molecular weight 161.96391 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dichlorophenol
Also Known As: 3,4-DICHLOROPHENOL, Phenol, 3,4-dichloro-, 4,5-Dichlorophenol, null, 3,4-dichlorphenol
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4Cl2O |
| Molecular Weight | 161.96391 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.96391 Da |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
| Melting Point | 151 to 154 °F (NTP, 1992) |
| Boiling Point | 488.3 °F at 767 mmHg (NTP, 1992) |
| Vapor Pressure | 0.01 [mmHg] |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C1=CC(=C(C=C1O)Cl)Cl |
| InChIKey | WDNBURPWRNALGP-UHFFFAOYSA-N |
Product Description
Applications: 3,4-Dichlorophenol 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 3,4-Dichlorophenol (CAS 95-77-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3,4-Dichlorophenol is a heterocyclic building block identified by CAS number 95-77-2 and the molecular formula C6H4Cl2O and a molecular weight of 161.96 g/mol. Physically, the compound has a solubility: less than 1 mg/mL at 68 °F (NTP, 1992). It is also known as 3,4-DICHLOROPHENOL and Phenol, 3,4-dichloro-.
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 3,4-Dichlorophenol
Property Insights of 3,4-Dichlorophenol
The XLogP value of 3.3 indicates that 3,4-Dichlorophenol 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-Dichlorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorophenol 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
What is the CAS number of 3,4-Dichlorophenol?
The CAS number of 3,4-Dichlorophenol is 95-77-2.
What is the molecular formula of 3,4-Dichlorophenol?
The molecular formula of 3,4-Dichlorophenol is C6H4Cl2O.
What is the molecular weight of 3,4-Dichlorophenol?
The molecular weight of 3,4-Dichlorophenol is 161.96391 g/mol.
What are the applications of 3,4-Dichlorophenol?
3,4-Dichlorophenol 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 3,4-Dichlorophenol (CAS 95-77-2)...
Where can I buy 3,4-Dichlorophenol?
You can request a quote for 3,4-Dichlorophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dichlorophenol?
Yes, CoreyChem provides custom synthesis services for 3,4-Dichlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.