1,2-二硝基苯
TL;DR: 1,2-二硝基苯 (CAS 528-29-0) is a chemical compound with molecular formula C6H4N2O4 and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-二硝基苯
1,2-dinitrobenzene
Also Known As: 1,2-Dinitrobenzene, O-DINITROBENZENE, 1,2-Dinitrobenzol, ortho-Dinitrobenzene, Benzene, o-dinitro-
| Molecular Formula | C6H4N2O4 |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.0171 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
| Melting Point | 118.0 °C |
| Boiling Point | 318.9 °C at 760 mmHg |
| Density | 1.31 at 20.0 °C |
| Solubility | 0.05 % (NIOSH, 2024) |
| Flash Point | 150.0 °C |
| Vapor Pressure | 0.0000455 [mmHg] |
Chemical Identifiers
| CAS Number | 528-29-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | IZUKQUVSCNEFMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-二硝基苯 (CAS 528-29-0), with molecular formula C6H4N2O4 and molecular weight 168.02 g/mol. IUPAC: 1,2-dinitrobenzene.
Chemical Property Profile of 1,2-二硝基苯
Property Insights of 1,2-二硝基苯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-二硝基苯. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-二硝基苯. Following Lipinski's Rule of Five, 1,2-二硝基苯 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 1,2-二硝基苯?
The CAS number of 1,2-二硝基苯 is 528-29-0.
What is the molecular formula of 1,2-二硝基苯?
The molecular formula of 1,2-二硝基苯 is C6H4N2O4.
What is the molecular weight of 1,2-二硝基苯?
The molecular weight of 1,2-二硝基苯 is 168.02 g/mol.
Where can I buy 1,2-二硝基苯?
You can request a quote for 1,2-二硝基苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-二硝基苯?
Yes, KEHONG BIO provides custom synthesis services for 1,2-二硝基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.