3,4-Dichlorobenzyl alcohol
TL;DR: 3,4-Dichlorobenzyl alcohol (CAS 1805-32-9) is a chemical compound with molecular formula C7H6Cl2O and molecular weight 175.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichlorophenyl)methanol
Also Known As: 3,4-Dichlorobenzyl alcohol, (3,4-Dichlorophenyl)methanol, Benzenemethanol, 3,4-dichloro-, null, 3,4-dichlorobenzenemethanol
| Molecular Formula | C7H6Cl2O |
|---|---|
| Molecular Weight | 175.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.97957 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 1805-32-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1CO)Cl)Cl |
| InChIKey | FVJIUQSKXOYFKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichlorobenzyl alcohol (CAS 1805-32-9), with molecular formula C7H6Cl2O and molecular weight 175.98 g/mol. IUPAC: (3,4-dichlorophenyl)methanol.
Chemical Property Profile of 3,4-Dichlorobenzyl alcohol
Property Insights of 3,4-Dichlorobenzyl alcohol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichlorobenzyl alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, 3,4-Dichlorobenzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorobenzyl alcohol 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-Dichlorobenzyl alcohol?
The CAS number of 3,4-Dichlorobenzyl alcohol is 1805-32-9.
What is the molecular formula of 3,4-Dichlorobenzyl alcohol?
The molecular formula of 3,4-Dichlorobenzyl alcohol is C7H6Cl2O.
What is the molecular weight of 3,4-Dichlorobenzyl alcohol?
The molecular weight of 3,4-Dichlorobenzyl alcohol is 175.98 g/mol.
Where can I buy 3,4-Dichlorobenzyl alcohol?
You can request a quote for 3,4-Dichlorobenzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorobenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorobenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.