alpha-Chloro-o-xylene
TL;DR: alpha-Chloro-o-xylene (CAS 552-45-4) 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)-2-methylbenzene
Also Known As: 2-Methylbenzyl chloride, 1-(Chloromethyl)-2-methylbenzene, o-Xylyl chloride, o-Methylbenzyl chloride, ALPHA-CHLORO-O-XYLENE
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 | 80.0 |
| Boiling Point | 195-203 °C |
| Flash Point | 165 °F |
| Refractive Index | INDEX OF REFRACTION: 1.5391 @ 20 °C/D |
| Solubility | PRACTICALLY INSOL IN WATER; MISCIBLE WITH ABSOLUTE ALCOHOL |
| SMILES | CC1=CC=CC=C1CCl |
| InChIKey | VQRBXYBBGHOGFT-UHFFFAOYSA-N |
Product Description
Applications: alpha-Chloro-o-xylene 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, alpha-Chloro-o-xylene (CAS 552-45-4) has the molecular formula C8H9Cl and a molecular weight of 140.04 g/mol. Reported properties include a solubility: PRACTICALLY INSOL IN WATER; MISCIBLE WITH ABSOLUTE ALCOHOL. Synonyms include 2-Methylbenzyl chloride and 1-(Chloromethyl)-2-methylbenzene.
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 alpha-Chloro-o-xylene
Property Insights of alpha-Chloro-o-xylene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Chloro-o-xylene. With a topological polar surface area (TPSA) of 0.0 Ų, alpha-Chloro-o-xylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Chloro-o-xylene 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 alpha-Chloro-o-xylene?
The CAS number of alpha-Chloro-o-xylene is 552-45-4.
What is the molecular formula of alpha-Chloro-o-xylene?
The molecular formula of alpha-Chloro-o-xylene is C8H9Cl.
What is the molecular weight of alpha-Chloro-o-xylene?
The molecular weight of alpha-Chloro-o-xylene is 140.03928 g/mol.
What are the applications of alpha-Chloro-o-xylene?
alpha-Chloro-o-xylene 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 alpha-Chloro-o-xylene?
You can request a quote for alpha-Chloro-o-xylene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-Chloro-o-xylene?
Yes, CoreyChem provides custom synthesis services for alpha-Chloro-o-xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.