4-Ethylnitrobenzene
TL;DR: 4-Ethylnitrobenzene (CAS 100-12-9) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-4-nitrobenzene
Also Known As: 4-ETHYLNITROBENZENE, 1-Ethyl-4-nitrobenzene, p-Ethylnitrobenzene, Benzene, 1-ethyl-4-nitro-, p-Nitroethylbenzene
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.06332 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.06332 Da |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
| Vapor Pressure | 0.02 [mmHg] |
| SMILES | CCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | RESTWAHJFMZUIZ-UHFFFAOYSA-N |
Product Description
Applications: 4-Ethylnitrobenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-Ethylnitrobenzene is a heterocyclic building block identified by CAS number 100-12-9 and the molecular formula C8H9NO2 and a molecular weight of 151.06 g/mol. Synonyms include 4-ETHYLNITROBENZENE and 1-Ethyl-4-nitrobenzene.
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 4-Ethylnitrobenzene
Property Insights of 4-Ethylnitrobenzene
The XLogP value of 3.0 indicates that 4-Ethylnitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Ethylnitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylnitrobenzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Ethylnitrobenzene?
The CAS number of 4-Ethylnitrobenzene is 100-12-9.
What is the molecular formula of 4-Ethylnitrobenzene?
The molecular formula of 4-Ethylnitrobenzene is C8H9NO2.
What is the molecular weight of 4-Ethylnitrobenzene?
The molecular weight of 4-Ethylnitrobenzene is 151.06332 g/mol.
What are the applications of 4-Ethylnitrobenzene?
4-Ethylnitrobenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy 4-Ethylnitrobenzene?
You can request a quote for 4-Ethylnitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethylnitrobenzene?
Yes, CoreyChem provides custom synthesis services for 4-Ethylnitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.