Phenol, 2,4-dimethyl-6-nitro-
TL;DR: Phenol, 2,4-dimethyl-6-nitro- (CAS 14452-34-7) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dimethyl-6-nitrophenol
Also Known As: 2,4-Dimethyl-6-nitrophenol, Phenol, 2,4-dimethyl-6-nitro-, 6-Nitro-2,4-xylenol, 2-Nitro-4,6-dimethylphenol, Intermediates-ZCF02108
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.05824 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.05824 Da |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C |
| InChIKey | KJRCHILWKQLEBC-UHFFFAOYSA-N |
Chemical Property Profile of Phenol, 2,4-dimethyl-6-nitro-
Property Insights of Phenol, 2,4-dimethyl-6-nitro-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2,4-dimethyl-6-nitro-. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 2,4-dimethyl-6-nitro-. Following Lipinski's Rule of Five, Phenol, 2,4-dimethyl-6-nitro- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenol, 2,4-dimethyl-6-nitro-?
The CAS number of Phenol, 2,4-dimethyl-6-nitro- is 14452-34-7.
What is the molecular formula of Phenol, 2,4-dimethyl-6-nitro-?
The molecular formula of Phenol, 2,4-dimethyl-6-nitro- is C8H9NO3.
What is the molecular weight of Phenol, 2,4-dimethyl-6-nitro-?
The molecular weight of Phenol, 2,4-dimethyl-6-nitro- is 167.05824 g/mol.
Where can I buy Phenol, 2,4-dimethyl-6-nitro-?
You can request a quote for Phenol, 2,4-dimethyl-6-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenol, 2,4-dimethyl-6-nitro-?
Yes, CoreyChem provides custom synthesis services for Phenol, 2,4-dimethyl-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.