1,2-Bis(nitromethyl)benzene
TL;DR: 1,2-Bis(nitromethyl)benzene (CAS 65768-08-3) 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.
1,2-bis(nitromethyl)benzene
Also Known As: 1,2-bis(nitromethyl)benzene, Benzene, 1,2-bis(nitromethyl)-, Benzene,1,2-bis(nitromethyl), alpha,alpha -Dinitro-o-xylene, EINECS 261-398-1
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 1.24 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 329.11383 |
Chemical Identifiers
| CAS Number | 65768-08-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C[N+](=O)[O-])C[N+](=O)[O-] |
Product Overview
1,2-Bis(nitromethyl)benzene (CAS 65768-08-3), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: 1,2-bis(nitromethyl)benzene.
Chemical Property Profile of 1,2-Bis(nitromethyl)benzene
Property Insights of 1,2-Bis(nitromethyl)benzene
The XLogP value of 1.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Bis(nitromethyl)benzene. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Bis(nitromethyl)benzene. Following Lipinski's Rule of Five, 1,2-Bis(nitromethyl)benzene 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 1,2-Bis(nitromethyl)benzene?
The CAS number of 1,2-Bis(nitromethyl)benzene is 65768-08-3.
What is the molecular formula of 1,2-Bis(nitromethyl)benzene?
The molecular formula of 1,2-Bis(nitromethyl)benzene is C8H8N2O4.
What is the molecular weight of 1,2-Bis(nitromethyl)benzene?
The molecular weight of 1,2-Bis(nitromethyl)benzene is 196.05 g/mol.
Where can I buy 1,2-Bis(nitromethyl)benzene?
You can request a quote for 1,2-Bis(nitromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(nitromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(nitromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.