3,5-Difluoro-4-nitroaniline
TL;DR: 3,5-Difluoro-4-nitroaniline (CAS 1221341-52-1) is a chemical compound with molecular formula C6H4F2N2O2 and molecular weight 174.02408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-difluoro-4-nitroaniline
Also Known As: 3,5-difluoro-4-nitroaniline, 3,5-difluoro-4-nitro-aniline, Benzenamine, 3,5-difluoro-4-nitro-, 3,5-DIFLUORO-4-NITROBENZENAMINE, 3,5-difluoro-4-nitro-Benzenamine
Technical Specifications
| Molecular Formula | C6H4F2N2O2 |
| Molecular Weight | 174.02408 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.02408 Da |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
| SMILES | C1=C(C=C(C(=C1F)[N+](=O)[O-])F)N |
| InChIKey | RKBPGWQSTWNFRY-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Difluoro-4-nitroaniline
Property Insights of 3,5-Difluoro-4-nitroaniline
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Difluoro-4-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Difluoro-4-nitroaniline. Following Lipinski's Rule of Five, 3,5-Difluoro-4-nitroaniline 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 3,5-Difluoro-4-nitroaniline?
The CAS number of 3,5-Difluoro-4-nitroaniline is 1221341-52-1.
What is the molecular formula of 3,5-Difluoro-4-nitroaniline?
The molecular formula of 3,5-Difluoro-4-nitroaniline is C6H4F2N2O2.
What is the molecular weight of 3,5-Difluoro-4-nitroaniline?
The molecular weight of 3,5-Difluoro-4-nitroaniline is 174.02408 g/mol.
Where can I buy 3,5-Difluoro-4-nitroaniline?
You can request a quote for 3,5-Difluoro-4-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Difluoro-4-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 3,5-Difluoro-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.