2-Nitro-4-(trifluoromethyl)phenol
TL;DR: 2-Nitro-4-(trifluoromethyl)phenol (CAS 400-99-7) is a chemical compound with molecular formula C7H4F3NO3 and molecular weight 207.01433 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitro-4-(trifluoromethyl)phenol
Also Known As: 2-Nitro-4-(trifluoromethyl)phenol, 4-Hydroxy-3-nitrobenzotrifluoride, Phenol, 2-nitro-4-(trifluoromethyl)-, 2-Nitro-4-Trifluoromethylphenol, 5-Fluoro-N-(BOC)indole
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4F3NO3 |
| Molecular Weight | 207.01433 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.01433 Da |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])O |
| InChIKey | XZEDEVRSUANQEM-UHFFFAOYSA-N |
Product Description
Applications: 2-Nitro-4-(trifluoromethyl)phenol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Nitro-4-(trifluoromethyl)phenol (CAS 400-99-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Nitro-4-(trifluoromethyl)phenol is a heterocyclic building block identified by CAS number 400-99-7 and the molecular formula C7H4F3NO3 and a molecular weight of 207.01 g/mol. It is also known as 2-Nitro-4-(trifluoromethyl)phenol and 4-Hydroxy-3-nitrobenzotrifluoride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Nitro-4-(trifluoromethyl)phenol
Property Insights of 2-Nitro-4-(trifluoromethyl)phenol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-4-(trifluoromethyl)phenol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-4-(trifluoromethyl)phenol. Following Lipinski's Rule of Five, 2-Nitro-4-(trifluoromethyl)phenol has 1 hydrogen bond donor(s) and 6 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-Nitro-4-(trifluoromethyl)phenol?
The CAS number of 2-Nitro-4-(trifluoromethyl)phenol is 400-99-7.
What is the molecular formula of 2-Nitro-4-(trifluoromethyl)phenol?
The molecular formula of 2-Nitro-4-(trifluoromethyl)phenol is C7H4F3NO3.
What is the molecular weight of 2-Nitro-4-(trifluoromethyl)phenol?
The molecular weight of 2-Nitro-4-(trifluoromethyl)phenol is 207.01433 g/mol.
What are the applications of 2-Nitro-4-(trifluoromethyl)phenol?
2-Nitro-4-(trifluoromethyl)phenol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 2-Nitro-4-(trifluoromethyl)phenol?
You can request a quote for 2-Nitro-4-(trifluoromethyl)phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitro-4-(trifluoromethyl)phenol?
Yes, CoreyChem provides custom synthesis services for 2-Nitro-4-(trifluoromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.