4-Methylbenzyl chloride
TL;DR: 4-Methylbenzyl chloride (CAS 104-82-5) is a chemical compound with molecular formula C8H9Cl and molecular weight 140.03928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(chloromethyl)-4-methylbenzene
Also Known As: 4-Methylbenzyl chloride, p-Xylyl chloride, ALPHA-CHLORO-P-XYLENE, 1-(Chloromethyl)-4-methylbenzene, p-Methylbenzyl chloride
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9Cl |
| Molecular Weight | 140.03928 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.03928 Da |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
| Boiling Point | 200-202 °C |
| Density | 1.0512 @ 20 °C/4 °C |
| Vapor Pressure | 0.29 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.5360 @ 17 °C/D |
| Solubility | PRACTICALLY INSOL IN WATER; MISCIBLE WITH ABSOLUTE ALCOHOL |
| SMILES | CC1=CC=C(C=C1)CCl |
| InChIKey | DMHZDOTYAVHSEH-UHFFFAOYSA-N |
Product Description
Applications: 4-Methylbenzyl chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 4-Methylbenzyl chloride (CAS 104-82-5) has the molecular formula C8H9Cl and a molecular weight of 140.04 g/mol. Reported properties include a density of 1.0512 @ 20 °C/4 °C g/cm³, a solubility: PRACTICALLY INSOL IN WATER; MISCIBLE WITH ABSOLUTE ALCOHOL. Synonyms include 4-Methylbenzyl chloride and p-Xylyl chloride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 140.03928 g/mol.
What are the applications of 4-Methylbenzyl chloride?
4-Methylbenzyl chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy 4-Methylbenzyl chloride?
You can request a quote for 4-Methylbenzyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylbenzyl chloride?
Yes, CoreyChem provides custom synthesis services for 4-Methylbenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.