2,4,6-Trinitro-3-(trifluoromethyl)phenol
TL;DR: 2,4,6-Trinitro-3-(trifluoromethyl)phenol (CAS 384-77-0) is a chemical compound with molecular formula C7H2F3N3O7 and molecular weight 296.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trinitro-3-(trifluoromethyl)phenol
Also Known As: 2,4,6-trinitro-3-(trifluoromethyl)phenol, RefChem:442975
| Molecular Formula | C7H2F3N3O7 |
|---|---|
| Molecular Weight | 296.98 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 296.9845 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 384-77-0 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | KFQBCDZWGSUGLD-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitro-3-(trifluoromethyl)phenol (CAS 384-77-0), with molecular formula C7H2F3N3O7 and molecular weight 296.98 g/mol. IUPAC: 2,4,6-trinitro-3-(trifluoromethyl)phenol.
Chemical Property Profile of 2,4,6-Trinitro-3-(trifluoromethyl)phenol
Property Insights of 2,4,6-Trinitro-3-(trifluoromethyl)phenol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitro-3-(trifluoromethyl)phenol. The TPSA of 158.0 Ų indicates high polarity, suggesting 2,4,6-Trinitro-3-(trifluoromethyl)phenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitro-3-(trifluoromethyl)phenol has 1 hydrogen bond donor(s) and 10 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 2,4,6-Trinitro-3-(trifluoromethyl)phenol?
The CAS number of 2,4,6-Trinitro-3-(trifluoromethyl)phenol is 384-77-0.
What is the molecular formula of 2,4,6-Trinitro-3-(trifluoromethyl)phenol?
The molecular formula of 2,4,6-Trinitro-3-(trifluoromethyl)phenol is C7H2F3N3O7.
What is the molecular weight of 2,4,6-Trinitro-3-(trifluoromethyl)phenol?
The molecular weight of 2,4,6-Trinitro-3-(trifluoromethyl)phenol is 296.98 g/mol.
Where can I buy 2,4,6-Trinitro-3-(trifluoromethyl)phenol?
You can request a quote for 2,4,6-Trinitro-3-(trifluoromethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitro-3-(trifluoromethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitro-3-(trifluoromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.