1-Chloro-4-(chloromethyl)benzene
TL;DR: 1-Chloro-4-(chloromethyl)benzene (CAS 104-83-6) is a chemical compound with molecular formula C7H6Cl2 and molecular weight 159.98465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-4-(chloromethyl)benzene
Also Known As: 4-Chlorobenzyl chloride, 1-Chloro-4-(chloromethyl)benzene, p-Chlorobenzyl chloride, alpha,4-Dichlorotoluene, 4-chlorobenzylchloride
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6Cl2 |
| Molecular Weight | 159.98465 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.98465 Da |
| Heavy Atoms | 9 |
| Complexity | 75.0 |
| Melting Point | 31 °C |
| Boiling Point | 223 °C |
| Density | 1.270-1.280 AT 25 DEG/15 °C |
| Refractive Index | Index of refraction: 1.5554 @ 20 °C |
| Solubility | SOL IN CARBON DISULFIDE; SLIGHTLY SOL IN ALCOHOL |
| SMILES | C1=CC(=CC=C1CCl)Cl |
| InChIKey | JQZAEUFPPSRDOP-UHFFFAOYSA-N |
Product Description
Applications: 1-Chloro-4-(chloromethyl)benzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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).
1-Chloro-4-(chloromethyl)benzene is a heterocyclic building block identified by CAS number 104-83-6 and the molecular formula C7H6Cl2 and a molecular weight of 159.98 g/mol. Physically, the compound has a density of 1.270-1.280 AT 25 DEG/15 °C g/cm³, a solubility: SOL IN CARBON DISULFIDE; SLIGHTLY SOL IN ALCOHOL. Synonyms include 4-Chlorobenzyl chloride and 1-Chloro-4-(chloromethyl)benzene.
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 1-Chloro-4-(chloromethyl)benzene
Property Insights of 1-Chloro-4-(chloromethyl)benzene
The XLogP value of 3.2 indicates that 1-Chloro-4-(chloromethyl)benzene 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-4-(chloromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(chloromethyl)benzene 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 1-Chloro-4-(chloromethyl)benzene?
The CAS number of 1-Chloro-4-(chloromethyl)benzene is 104-83-6.
What is the molecular formula of 1-Chloro-4-(chloromethyl)benzene?
The molecular formula of 1-Chloro-4-(chloromethyl)benzene is C7H6Cl2.
What is the molecular weight of 1-Chloro-4-(chloromethyl)benzene?
The molecular weight of 1-Chloro-4-(chloromethyl)benzene is 159.98465 g/mol.
What are the applications of 1-Chloro-4-(chloromethyl)benzene?
1-Chloro-4-(chloromethyl)benzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy 1-Chloro-4-(chloromethyl)benzene?
You can request a quote for 1-Chloro-4-(chloromethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-4-(chloromethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-4-(chloromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.