2,4-Dinitroanisole
TL;DR: 2,4-Dinitroanisole (CAS 119-27-7) is a chemical compound with molecular formula C7H6N2O5 and molecular weight 198.02766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-2,4-dinitrobenzene
Also Known As: 2,4-DINITROANISOLE, 1-Methoxy-2,4-dinitrobenzene, Dinitroanisole, 2,4-Dinitroanisol, 2,4-Dinitrophenyl methyl ether
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6N2O5 |
| Molecular Weight | 198.02766 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.02766 Da |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
| Vapor Pressure | 0.000138 [mmHg] |
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CVYZVNVPQRKDLW-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Dinitroanisole
Property Insights of 2,4-Dinitroanisole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitroanisole. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitroanisole. Following Lipinski's Rule of Five, 2,4-Dinitroanisole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4-Dinitroanisole?
The CAS number of 2,4-Dinitroanisole is 119-27-7.
What is the molecular formula of 2,4-Dinitroanisole?
The molecular formula of 2,4-Dinitroanisole is C7H6N2O5.
What is the molecular weight of 2,4-Dinitroanisole?
The molecular weight of 2,4-Dinitroanisole is 198.02766 g/mol.
Where can I buy 2,4-Dinitroanisole?
You can request a quote for 2,4-Dinitroanisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dinitroanisole?
Yes, CoreyChem provides custom synthesis services for 2,4-Dinitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.