4-Methylbenzyl chloride
TL;DR: 4-Methylbenzyl chloride (CAS 104-82-5) is a chemical compound with molecular formula C8H9Cl and molecular weight 140.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-4-methylbenzene
Also Known As: 4-Methylbenzyl chloride, p-Xylyl chloride, ALPHA-CHLORO-P-XYLENE, 1-(Chloromethyl)-4-methylbenzene, p-Methylbenzyl chloride
| Molecular Formula | C8H9Cl |
|---|---|
| Molecular Weight | 140.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.03928 |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
| Boiling Point | 200-202 °C |
| Density | 1.0512 @ 20 °C |
| Solubility | PRACTICALLY INSOL IN WATER; MISCIBLE WITH ABSOLUTE ALCOHOL |
| Vapor Pressure | 0.29 [mmHg] |
| Refractive Index | 1.5360 @ 17 °C |
Chemical Identifiers
| CAS Number | 104-82-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CCl |
| InChIKey | DMHZDOTYAVHSEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylbenzyl chloride (CAS 104-82-5), with molecular formula C8H9Cl and molecular weight 140.04 g/mol. IUPAC: 1-(chloromethyl)-4-methylbenzene.
Chemical Property Profile of 4-Methylbenzyl chloride
Property Insights of 4-Methylbenzyl chloride
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylbenzyl chloride. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Methylbenzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylbenzyl chloride 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-Methylbenzyl chloride?
The CAS number of 4-Methylbenzyl chloride is 104-82-5.
What is the molecular formula of 4-Methylbenzyl chloride?
The molecular formula of 4-Methylbenzyl chloride is C8H9Cl.
What is the molecular weight of 4-Methylbenzyl chloride?
The molecular weight of 4-Methylbenzyl chloride is 140.04 g/mol.
Where can I buy 4-Methylbenzyl chloride?
You can request a quote for 4-Methylbenzyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbenzyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.