4-(1-Chloroethyl)benzyl chloride
TL;DR: 4-(1-Chloroethyl)benzyl chloride (CAS 54789-30-9) is a chemical compound with molecular formula C9H10Cl2 and molecular weight 188.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-chloroethyl)-4-(chloromethyl)benzene
Also Known As: 4-(1-Chloroethyl)benzyl chloride, 1-(1-Chloroethyl)-4-(chloromethyl)benzene, p-(Alpha-chloroethyl)benzyl chloride, 1-(1-Chloroethyl)-4-chloromethylbenzene, Benzene, 1-(1-chloroethyl)-4-(chloromethyl)-
| Molecular Formula | C9H10Cl2 |
|---|---|
| Molecular Weight | 188.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.01596 |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 54789-30-9 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)CCl)Cl |
| InChIKey | OPVAKHQEJWPSQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1-Chloroethyl)benzyl chloride (CAS 54789-30-9), with molecular formula C9H10Cl2 and molecular weight 188.02 g/mol. IUPAC: 1-(1-chloroethyl)-4-(chloromethyl)benzene.
Chemical Property Profile of 4-(1-Chloroethyl)benzyl chloride
Property Insights of 4-(1-Chloroethyl)benzyl chloride
The XLogP value of 3.1 indicates that 4-(1-Chloroethyl)benzyl chloride 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-(1-Chloroethyl)benzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Chloroethyl)benzyl 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-(1-Chloroethyl)benzyl chloride?
The CAS number of 4-(1-Chloroethyl)benzyl chloride is 54789-30-9.
What is the molecular formula of 4-(1-Chloroethyl)benzyl chloride?
The molecular formula of 4-(1-Chloroethyl)benzyl chloride is C9H10Cl2.
What is the molecular weight of 4-(1-Chloroethyl)benzyl chloride?
The molecular weight of 4-(1-Chloroethyl)benzyl chloride is 188.02 g/mol.
Where can I buy 4-(1-Chloroethyl)benzyl chloride?
You can request a quote for 4-(1-Chloroethyl)benzyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Chloroethyl)benzyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Chloroethyl)benzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.