(1-Chloroethyl)benzene
TL;DR: (1-Chloroethyl)benzene (CAS 672-65-1) is a chemical compound with molecular formula C8H9Cl and molecular weight 140.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloroethylbenzene
Also Known As: (1-CHLOROETHYL)BENZENE, 1-chloroethylbenzene, 1-Chloro-1-phenylethane, 1-Phenylethyl chloride, alpha-Methylbenzyl chloride
| Molecular Formula | C8H9Cl |
|---|---|
| Molecular Weight | 140.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.03928 |
| Heavy Atoms | 9 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 672-65-1 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)Cl |
| InChIKey | GTLWADFFABIGAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Chloroethyl)benzene (CAS 672-65-1), with molecular formula C8H9Cl and molecular weight 140.04 g/mol. IUPAC: 1-chloroethylbenzene.
Chemical Property Profile of (1-Chloroethyl)benzene
Property Insights of (1-Chloroethyl)benzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Chloroethyl)benzene. With a topological polar surface area (TPSA) of 0.0 Ų, (1-Chloroethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Chloroethyl)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
Frequently Asked Questions
What is the CAS number of (1-Chloroethyl)benzene?
The CAS number of (1-Chloroethyl)benzene is 672-65-1.
What is the molecular formula of (1-Chloroethyl)benzene?
The molecular formula of (1-Chloroethyl)benzene is C8H9Cl.
What is the molecular weight of (1-Chloroethyl)benzene?
The molecular weight of (1-Chloroethyl)benzene is 140.04 g/mol.
Where can I buy (1-Chloroethyl)benzene?
You can request a quote for (1-Chloroethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Chloroethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1-Chloroethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.