1,3-Diethylbenzene
TL;DR: 1,3-Diethylbenzene (CAS 141-93-5) is a chemical compound with molecular formula C10H14 and molecular weight 134.10954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-diethylbenzene
Also Known As: 1,3-DIETHYLBENZENE, m-Diethylbenzene, Benzene, 1,3-diethyl-, Benzene, m-diethyl-, m-Ethylethylbenzene
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14 |
| Molecular Weight | 134.10954 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.10954 Da |
| Heavy Atoms | 10 |
| Complexity | 76.0 |
| Melting Point | -83.9 °C |
| Boiling Point | 181.1 °C |
| Density | 0.8602 @ 20 °C/4 °C |
| Flash Point | 56 °C |
| Vapor Pressure | 1.13 [mmHg] |
| Refractive Index | Index of refraction: 1.4955 @ 20 °C/D |
| Solubility | Miscible in ethanol, ethyl ether and acetone |
| SMILES | CCC1=CC(=CC=C1)CC |
| InChIKey | AFZZYIJIWUTJFO-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Diethylbenzene 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 1,3-Diethylbenzene (CAS 141-93-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1,3-Diethylbenzene is a organic building block identified by CAS number 141-93-5 and the molecular formula C10H14 and a molecular weight of 134.11 g/mol. Physically, the compound has a density of 0.8602 @ 20 °C/4 °C g/cm³, a solubility: Miscible in ethanol, ethyl ether and acetone. It is also known as 1,3-DIETHYLBENZENE and m-Diethylbenzene.
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 1,3-Diethylbenzene
Property Insights of 1,3-Diethylbenzene
The XLogP value of 3.9 indicates that 1,3-Diethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Diethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethylbenzene 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 1,3-Diethylbenzene?
The CAS number of 1,3-Diethylbenzene is 141-93-5.
What is the molecular formula of 1,3-Diethylbenzene?
The molecular formula of 1,3-Diethylbenzene is C10H14.
What is the molecular weight of 1,3-Diethylbenzene?
The molecular weight of 1,3-Diethylbenzene is 134.10954 g/mol.
What are the applications of 1,3-Diethylbenzene?
1,3-Diethylbenzene 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 1,3-Diethylbenzene?
You can request a quote for 1,3-Diethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Diethylbenzene?
Yes, CoreyChem provides custom synthesis services for 1,3-Diethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.