4-氯苄氯
TL;DR: 4-氯苄氯 (CAS 104-83-6) is a chemical compound with molecular formula C7H6Cl2 and molecular weight 159.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯苄氯
1-chloro-4-(chloromethyl)benzene
Also Known As: 4-Chlorobenzyl chloride, 1-Chloro-4-(chloromethyl)benzene, p-Chlorobenzyl chloride, alpha,4-Dichlorotoluene, 4-chlorobenzylchloride
| Molecular Formula | C7H6Cl2 |
|---|---|
| Molecular Weight | 159.98 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.98465 |
| Heavy Atoms | 9 |
| Complexity | 75.0 |
| Melting Point | 31 °C |
| Boiling Point | 223 °C |
| Density | 1.270-1.280 AT 25 DEG/15 °C |
| Solubility | SOL IN CARBON DISULFIDE; SLIGHTLY SOL IN ALCOHOL |
| Refractive Index | 1.5554 @ 20 °C |
Chemical Identifiers
| CAS Number | 104-83-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CCl)Cl |
| InChIKey | JQZAEUFPPSRDOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯苄氯 (CAS 104-83-6), with molecular formula C7H6Cl2 and molecular weight 159.98 g/mol. IUPAC: 1-chloro-4-(chloromethyl)benzene.
Chemical Property Profile of 4-氯苄氯
Property Insights of 4-氯苄氯
The XLogP value of 3.2 indicates that 4-氯苄氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-氯苄氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯苄氯 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-氯苄氯?
The CAS number of 4-氯苄氯 is 104-83-6.
What is the molecular formula of 4-氯苄氯?
The molecular formula of 4-氯苄氯 is C7H6Cl2.
What is the molecular weight of 4-氯苄氯?
The molecular weight of 4-氯苄氯 is 159.98 g/mol.
Where can I buy 4-氯苄氯?
You can request a quote for 4-氯苄氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯苄氯?
Yes, KEHONG BIO provides custom synthesis services for 4-氯苄氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.