m,alpha-Dichlorotoluene
TL;DR: m,alpha-Dichlorotoluene (CAS 620-20-2) is a chemical compound with molecular formula C7H6Cl2 and molecular weight 159.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(chloromethyl)benzene
Also Known As: 3-Chlorobenzyl chloride, alpha,3-Dichlorotoluene, 1-Chloro-3-(chloromethyl)benzene, 3-Chlorobenzylchloride, m-Chlorbenzyl chloride
| Molecular Formula | C7H6Cl2 |
|---|---|
| Molecular Weight | 159.98 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.98465 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 620-20-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CCl |
| InChIKey | DDGRAFHHXYIQQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m,alpha-Dichlorotoluene (CAS 620-20-2), with molecular formula C7H6Cl2 and molecular weight 159.98 g/mol. IUPAC: 1-chloro-3-(chloromethyl)benzene.
Chemical Property Profile of m,alpha-Dichlorotoluene
Property Insights of m,alpha-Dichlorotoluene
The XLogP value of 3.2 indicates that m,alpha-Dichlorotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, m,alpha-Dichlorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m,alpha-Dichlorotoluene 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 m,alpha-Dichlorotoluene?
The CAS number of m,alpha-Dichlorotoluene is 620-20-2.
What is the molecular formula of m,alpha-Dichlorotoluene?
The molecular formula of m,alpha-Dichlorotoluene is C7H6Cl2.
What is the molecular weight of m,alpha-Dichlorotoluene?
The molecular weight of m,alpha-Dichlorotoluene is 159.98 g/mol.
Where can I buy m,alpha-Dichlorotoluene?
You can request a quote for m,alpha-Dichlorotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m,alpha-Dichlorotoluene?
Yes, KEHONG BIO provides custom synthesis services for m,alpha-Dichlorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.