O-(Dichloromethyl)chlorobenzene
TL;DR: O-(Dichloromethyl)chlorobenzene (CAS 88-66-4) is a chemical compound with molecular formula C7H5Cl3 and molecular weight 193.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-(dichloromethyl)benzene
Also Known As: 1-Chloro-2-(dichloromethyl)benzene, o-chlorbenzalchlorid, Chloro(dichloromethyl)benzene, 1-Chloro-2- benzene, 2-chlorobenza1 chloride
| Molecular Formula | C7H5Cl3 |
|---|---|
| Molecular Weight | 193.95 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.94568 |
| Heavy Atoms | 10 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 88-66-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(Cl)Cl)Cl |
| InChIKey | BXSVYGKOUULJCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-(Dichloromethyl)chlorobenzene (CAS 88-66-4), with molecular formula C7H5Cl3 and molecular weight 193.95 g/mol. IUPAC: 1-chloro-2-(dichloromethyl)benzene.
Chemical Property Profile of O-(Dichloromethyl)chlorobenzene
Property Insights of O-(Dichloromethyl)chlorobenzene
The XLogP value of 3.7 indicates that O-(Dichloromethyl)chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, O-(Dichloromethyl)chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(Dichloromethyl)chlorobenzene has 0 hydrogen bond donor(s) and 0 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 O-(Dichloromethyl)chlorobenzene?
The CAS number of O-(Dichloromethyl)chlorobenzene is 88-66-4.
What is the molecular formula of O-(Dichloromethyl)chlorobenzene?
The molecular formula of O-(Dichloromethyl)chlorobenzene is C7H5Cl3.
What is the molecular weight of O-(Dichloromethyl)chlorobenzene?
The molecular weight of O-(Dichloromethyl)chlorobenzene is 193.95 g/mol.
Where can I buy O-(Dichloromethyl)chlorobenzene?
You can request a quote for O-(Dichloromethyl)chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(Dichloromethyl)chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for O-(Dichloromethyl)chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.