1,4-Dinitrosobenzene
TL;DR: 1,4-Dinitrosobenzene (CAS 105-12-4) is a chemical compound with molecular formula C6H4N2O2 and molecular weight 136.02728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dinitrosobenzene
Also Known As: 1,4-Dinitrosobenzene, p-Dinitrosobenzene, Polyac, Benzene, 1,4-dinitroso-, Benzene, p-dinitroso-
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4N2O2 |
| Molecular Weight | 136.02728 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.02728 Da |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
| SMILES | C1=CC(=CC=C1N=O)N=O |
| InChIKey | MKZXROSCOHNKDX-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Dinitrosobenzene
Property Insights of 1,4-Dinitrosobenzene
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dinitrosobenzene. With a topological polar surface area (TPSA) of 58.9 Ų, 1,4-Dinitrosobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dinitrosobenzene 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
What is the CAS number of 1,4-Dinitrosobenzene?
The CAS number of 1,4-Dinitrosobenzene is 105-12-4.
What is the molecular formula of 1,4-Dinitrosobenzene?
The molecular formula of 1,4-Dinitrosobenzene is C6H4N2O2.
What is the molecular weight of 1,4-Dinitrosobenzene?
The molecular weight of 1,4-Dinitrosobenzene is 136.02728 g/mol.
Where can I buy 1,4-Dinitrosobenzene?
You can request a quote for 1,4-Dinitrosobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dinitrosobenzene?
Yes, CoreyChem provides custom synthesis services for 1,4-Dinitrosobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.