4-Ethylnitrobenzene
TL;DR: 4-Ethylnitrobenzene (CAS 100-12-9) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-4-nitrobenzene
Also Known As: 4-ETHYLNITROBENZENE, 1-Ethyl-4-nitrobenzene, p-Ethylnitrobenzene, Benzene, 1-ethyl-4-nitro-, p-Nitroethylbenzene
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
| Vapor Pressure | 0.02 [mmHg] |
Chemical Identifiers
| CAS Number | 100-12-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | RESTWAHJFMZUIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethylnitrobenzene (CAS 100-12-9), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: 1-ethyl-4-nitrobenzene.
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
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 151.06 g/mol.
Where can I buy 4-Ethylnitrobenzene?
You can request a quote for 4-Ethylnitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylnitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylnitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.