4-Amino-3-bromo-5-nitrobenzotrifluoride
TL;DR: 4-Amino-3-bromo-5-nitrobenzotrifluoride (CAS 113170-71-1) is a chemical compound with molecular formula C7H4BrF3N2O2 and molecular weight 283.94083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-6-nitro-4-(trifluoromethyl)aniline
Also Known As: 4-Amino-3-bromo-5-nitrobenzotrifluoride, 2-Bromo-6-nitro-4-(trifluoromethyl)aniline, BUTTPARK 52\11-29, 6-bromo-2-nitro-4-(trifluoromethyl)phenylamine, 2-bromo-6-nitro-4-trifluoromethyl-phenylamine
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4BrF3N2O2 |
| Molecular Weight | 283.94083 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 283.94083 Da |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)C(F)(F)F |
| InChIKey | ZUZMWPRSGJTLHW-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-3-bromo-5-nitrobenzotrifluoride
Property Insights of 4-Amino-3-bromo-5-nitrobenzotrifluoride
The XLogP value of 3.2 indicates that 4-Amino-3-bromo-5-nitrobenzotrifluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-bromo-5-nitrobenzotrifluoride. Following Lipinski's Rule of Five, 4-Amino-3-bromo-5-nitrobenzotrifluoride 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 4-Amino-3-bromo-5-nitrobenzotrifluoride?
The CAS number of 4-Amino-3-bromo-5-nitrobenzotrifluoride is 113170-71-1.
What is the molecular formula of 4-Amino-3-bromo-5-nitrobenzotrifluoride?
The molecular formula of 4-Amino-3-bromo-5-nitrobenzotrifluoride is C7H4BrF3N2O2.
What is the molecular weight of 4-Amino-3-bromo-5-nitrobenzotrifluoride?
The molecular weight of 4-Amino-3-bromo-5-nitrobenzotrifluoride is 283.94083 g/mol.
Where can I buy 4-Amino-3-bromo-5-nitrobenzotrifluoride?
You can request a quote for 4-Amino-3-bromo-5-nitrobenzotrifluoride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-3-bromo-5-nitrobenzotrifluoride?
Yes, CoreyChem provides custom synthesis services for 4-Amino-3-bromo-5-nitrobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.