Ethyldinitrobenzene
TL;DR: Ethyldinitrobenzene (CAS 31344-57-7) is a chemical compound with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2,3-dinitrobenzene
Also Known As: Ethyldinitrobenzene, Benzene, ethyldinitro-, dinitro-ethylbenzene, 1-ethyl-2,3-dinitrobenzene, EINECS 250-576-4
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 2.0654 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 388.9277 |
Chemical Identifiers
| CAS Number | 31344-57-7 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Ethyldinitrobenzene (CAS 31344-57-7), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: 1-ethyl-2,3-dinitrobenzene.
Chemical Property Profile of Ethyldinitrobenzene
Property Insights of Ethyldinitrobenzene
The XLogP value of 2.0654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyldinitrobenzene. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyldinitrobenzene. Following Lipinski's Rule of Five, Ethyldinitrobenzene has 0 hydrogen bond donor(s) and 4 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 Ethyldinitrobenzene?
The CAS number of Ethyldinitrobenzene is 31344-57-7.
What is the molecular formula of Ethyldinitrobenzene?
The molecular formula of Ethyldinitrobenzene is C8H8N2O4.
What is the molecular weight of Ethyldinitrobenzene?
The molecular weight of Ethyldinitrobenzene is 196.05 g/mol.
Where can I buy Ethyldinitrobenzene?
You can request a quote for Ethyldinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyldinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for Ethyldinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.