1-Chloro-2-(chloromethyl)-4-methylbenzene
TL;DR: 1-Chloro-2-(chloromethyl)-4-methylbenzene (CAS 34896-68-9) 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.
1-chloro-2-(chloromethyl)-4-methylbenzene
Also Known As: 1-chloro-2-(chloromethyl)-4-methylbenzene, 2-Chloro-5-methylbenzyl chloride, 2-chloro-5-methyl-benzyl chloride, Benzene, 4-chloro-3-(chloromethyl)-1-methyl, 1-chloro-2-(chloromethyl)-4-methyl-benzene
| Molecular Formula | C8H8Cl2 |
|---|---|
| Molecular Weight | 174.00 g/mol |
| LogP | 3.3 |
| 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 | 34896-68-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)Cl)CCl |
| InChIKey | PYEZGJNZDIRIIM-UHFFFAOYSA-N |
Product Overview
1-Chloro-2-(chloromethyl)-4-methylbenzene (CAS 34896-68-9), with molecular formula C8H8Cl2 and molecular weight 174.00 g/mol. IUPAC: 1-chloro-2-(chloromethyl)-4-methylbenzene.
Chemical Property Profile of 1-Chloro-2-(chloromethyl)-4-methylbenzene
Property Insights of 1-Chloro-2-(chloromethyl)-4-methylbenzene
The XLogP value of 3.3 indicates that 1-Chloro-2-(chloromethyl)-4-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, 1-Chloro-2-(chloromethyl)-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-(chloromethyl)-4-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 1-Chloro-2-(chloromethyl)-4-methylbenzene?
The CAS number of 1-Chloro-2-(chloromethyl)-4-methylbenzene is 34896-68-9.
What is the molecular formula of 1-Chloro-2-(chloromethyl)-4-methylbenzene?
The molecular formula of 1-Chloro-2-(chloromethyl)-4-methylbenzene is C8H8Cl2.
What is the molecular weight of 1-Chloro-2-(chloromethyl)-4-methylbenzene?
The molecular weight of 1-Chloro-2-(chloromethyl)-4-methylbenzene is 174.00 g/mol.
Where can I buy 1-Chloro-2-(chloromethyl)-4-methylbenzene?
You can request a quote for 1-Chloro-2-(chloromethyl)-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2-(chloromethyl)-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-(chloromethyl)-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.