1,4-Dimethyl-2,3-dinitrobenzene
TL;DR: 1,4-Dimethyl-2,3-dinitrobenzene (CAS 89252-95-9) 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.
1,4-dimethyl-2,3-dinitrobenzene
Also Known As: 1,4-dimethyl-2,3-dinitrobenzene, 2,3-Dinitro-p-xylol, 2,3-dinitro-p-xylene, Benzene, 1,4-dimethyl-2,3-dinitro-, Benzene, 1,4-dimethyldinitro-
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 2.11984 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 375.04745 |
Chemical Identifiers
| CAS Number | 89252-95-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,4-Dimethyl-2,3-dinitrobenzene (CAS 89252-95-9), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: 1,4-dimethyl-2,3-dinitrobenzene.
Chemical Property Profile of 1,4-Dimethyl-2,3-dinitrobenzene
Property Insights of 1,4-Dimethyl-2,3-dinitrobenzene
The XLogP value of 2.11984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl-2,3-dinitrobenzene. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dimethyl-2,3-dinitrobenzene. Following Lipinski's Rule of Five, 1,4-Dimethyl-2,3-dinitrobenzene 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 1,4-Dimethyl-2,3-dinitrobenzene?
The CAS number of 1,4-Dimethyl-2,3-dinitrobenzene is 89252-95-9.
What is the molecular formula of 1,4-Dimethyl-2,3-dinitrobenzene?
The molecular formula of 1,4-Dimethyl-2,3-dinitrobenzene is C8H8N2O4.
What is the molecular weight of 1,4-Dimethyl-2,3-dinitrobenzene?
The molecular weight of 1,4-Dimethyl-2,3-dinitrobenzene is 196.05 g/mol.
Where can I buy 1,4-Dimethyl-2,3-dinitrobenzene?
You can request a quote for 1,4-Dimethyl-2,3-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl-2,3-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl-2,3-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.