4-Chloro-2-(chloromethyl)-1-methylbenzene
TL;DR: 4-Chloro-2-(chloromethyl)-1-methylbenzene (CAS 34060-72-5) is a chemical compound with molecular formula C8H8Cl2 and molecular weight 174.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(chloromethyl)-1-methylbenzene
Also Known As: 4-chloro-2-(chloromethyl)-1-methylbenzene, 4-CHLORO-2-(CHLOROMETHYL)-1-METHYL-BENZENE, 2-methyl-5-chlorobenzyl chloride, 5-Chloro-2-methylbenzyl chloride, Benzene, 4-chloro-2-(chloromethyl)-1-methyl
| Molecular Formula | C8H8Cl2 |
|---|---|
| Molecular Weight | 174.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.0003 |
| Heavy Atoms | 10 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 34060-72-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)CCl |
| InChIKey | JMGAFTBKTDKOHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-(chloromethyl)-1-methylbenzene (CAS 34060-72-5), with molecular formula C8H8Cl2 and molecular weight 174.00 g/mol. IUPAC: 4-chloro-2-(chloromethyl)-1-methylbenzene.
Chemical Property Profile of 4-Chloro-2-(chloromethyl)-1-methylbenzene
Property Insights of 4-Chloro-2-(chloromethyl)-1-methylbenzene
The XLogP value of 3.8 indicates that 4-Chloro-2-(chloromethyl)-1-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Chloro-2-(chloromethyl)-1-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(chloromethyl)-1-methylbenzene 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 4-Chloro-2-(chloromethyl)-1-methylbenzene?
The CAS number of 4-Chloro-2-(chloromethyl)-1-methylbenzene is 34060-72-5.
What is the molecular formula of 4-Chloro-2-(chloromethyl)-1-methylbenzene?
The molecular formula of 4-Chloro-2-(chloromethyl)-1-methylbenzene is C8H8Cl2.
What is the molecular weight of 4-Chloro-2-(chloromethyl)-1-methylbenzene?
The molecular weight of 4-Chloro-2-(chloromethyl)-1-methylbenzene is 174.00 g/mol.
Where can I buy 4-Chloro-2-(chloromethyl)-1-methylbenzene?
You can request a quote for 4-Chloro-2-(chloromethyl)-1-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(chloromethyl)-1-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(chloromethyl)-1-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.