Benzene, 1-nitro-2-(nitromethyl)-
TL;DR: Benzene, 1-nitro-2-(nitromethyl)- (CAS 1818-22-0) is a chemical compound with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-2-(nitromethyl)benzene
Also Known As: 1-nitro-2-(nitromethyl)benzene, alpha,2-Dinitrotoluene, o- Nitrophenylnitromethan, 2-Nitrophenyl-nitromethan, Benzene, 1-nitro-2-(nitromethyl)-
| Molecular Formula | C7H6N2O4 |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 1.3715 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.03276 |
| Heavy Atoms | 13 |
| Complexity | 350.1007 |
Chemical Identifiers
| CAS Number | 1818-22-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Benzene, 1-nitro-2-(nitromethyl)- (CAS 1818-22-0), with molecular formula C7H6N2O4 and molecular weight 182.03 g/mol. IUPAC: 1-nitro-2-(nitromethyl)benzene.
Chemical Property Profile of Benzene, 1-nitro-2-(nitromethyl)-
Property Insights of Benzene, 1-nitro-2-(nitromethyl)-
The XLogP value of 1.3715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-nitro-2-(nitromethyl)-. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-nitro-2-(nitromethyl)-. Following Lipinski's Rule of Five, Benzene, 1-nitro-2-(nitromethyl)- 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 Benzene, 1-nitro-2-(nitromethyl)-?
The CAS number of Benzene, 1-nitro-2-(nitromethyl)- is 1818-22-0.
What is the molecular formula of Benzene, 1-nitro-2-(nitromethyl)-?
The molecular formula of Benzene, 1-nitro-2-(nitromethyl)- is C7H6N2O4.
What is the molecular weight of Benzene, 1-nitro-2-(nitromethyl)-?
The molecular weight of Benzene, 1-nitro-2-(nitromethyl)- is 182.03 g/mol.
Where can I buy Benzene, 1-nitro-2-(nitromethyl)-?
You can request a quote for Benzene, 1-nitro-2-(nitromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-nitro-2-(nitromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-nitro-2-(nitromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.