2-Chloro-4,6-dinitrophenol
TL;DR: 2-Chloro-4,6-dinitrophenol (CAS 946-31-6) is a chemical compound with molecular formula C6H3ClN2O5 and molecular weight 217.97305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-4,6-dinitrophenol
Also Known As: 2-Chloro-4,6-dinitrophenol, 6-CHLORO-2,4-DINITROPHENOL, Phenol, 2-chloro-4,6-dinitro-, USAF DO-60, 2,4-Dinitro-6-chlorophenol
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H3ClN2O5 |
| Molecular Weight | 217.97305 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.97305 Da |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)Cl)[N+](=O)[O-] |
| InChIKey | PCBCIXWBAPIVDV-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-4,6-dinitrophenol
Property Insights of 2-Chloro-4,6-dinitrophenol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4,6-dinitrophenol. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4,6-dinitrophenol. Following Lipinski's Rule of Five, 2-Chloro-4,6-dinitrophenol has 1 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-Chloro-4,6-dinitrophenol?
The CAS number of 2-Chloro-4,6-dinitrophenol is 946-31-6.
What is the molecular formula of 2-Chloro-4,6-dinitrophenol?
The molecular formula of 2-Chloro-4,6-dinitrophenol is C6H3ClN2O5.
What is the molecular weight of 2-Chloro-4,6-dinitrophenol?
The molecular weight of 2-Chloro-4,6-dinitrophenol is 217.97305 g/mol.
Where can I buy 2-Chloro-4,6-dinitrophenol?
You can request a quote for 2-Chloro-4,6-dinitrophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-4,6-dinitrophenol?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-4,6-dinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.