1-Chloro-2-ethylbenzene
TL;DR: 1-Chloro-2-ethylbenzene (CAS 89-96-3) 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-chloro-2-ethylbenzene
Also Known As: 1-CHLORO-2-ETHYLBENZENE, 2-Ethylchlorobenzene, 2-chloro(ethylbenzene), Benzene, 1-chloro-2-ethyl-, O-CHLOROETHYLBENZENE
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9Cl |
| Molecular Weight | 140.03928 g/mol |
| XLogP | 3.5 |
| 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 |
| SMILES | CCC1=CC=CC=C1Cl |
| InChIKey | CVGAWKYSRYXQOI-UHFFFAOYSA-N |
Product Description
Applications: 1-Chloro-2-ethylbenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Chloro-2-ethylbenzene (CAS 89-96-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Chloro-2-ethylbenzene is a organic building block identified by CAS number 89-96-3 and the molecular formula C8H9Cl and a molecular weight of 140.04 g/mol. It is also known as 1-CHLORO-2-ETHYLBENZENE and 2-Ethylchlorobenzene.
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-2-ethylbenzene
Property Insights of 1-Chloro-2-ethylbenzene
The XLogP value of 3.5 indicates that 1-Chloro-2-ethylbenzene 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-2-ethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-ethylbenzene 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-2-ethylbenzene?
The CAS number of 1-Chloro-2-ethylbenzene is 89-96-3.
What is the molecular formula of 1-Chloro-2-ethylbenzene?
The molecular formula of 1-Chloro-2-ethylbenzene is C8H9Cl.
What is the molecular weight of 1-Chloro-2-ethylbenzene?
The molecular weight of 1-Chloro-2-ethylbenzene is 140.03928 g/mol.
What are the applications of 1-Chloro-2-ethylbenzene?
1-Chloro-2-ethylbenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 1-Chloro-2-ethylbenzene?
You can request a quote for 1-Chloro-2-ethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-2-ethylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-2-ethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.