2-Chloro-6-nitro-4-(trifluoromethyl)aniline
TL;DR: 2-Chloro-6-nitro-4-(trifluoromethyl)aniline (CAS 57729-79-0) is a chemical compound with molecular formula C7H4ClF3N2O2 and molecular weight 239.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-nitro-4-(trifluoromethyl)aniline
Also Known As: 2-Chloro-6-nitro-4-(trifluoromethyl)aniline, 4-Amino-3-chloro-5-nitrobenzotrifluoride, 1-(Allyl)pyrrolidin-2-one, PC1070D, 2-chloro-4-trifluoromethyl-6-nitroaniline
| Molecular Formula | C7H4ClF3N2O2 |
|---|---|
| Molecular Weight | 239.99 g/mol |
| LogP | 2.8492 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.99133 |
| Heavy Atoms | 15 |
| Complexity | 419.4317 |
Chemical Identifiers
| CAS Number | 57729-79-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)C(F)(F)F |
Product Overview
2-Chloro-6-nitro-4-(trifluoromethyl)aniline (CAS 57729-79-0), with molecular formula C7H4ClF3N2O2 and molecular weight 239.99 g/mol. IUPAC: 2-chloro-6-nitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline
Property Insights of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline
The XLogP value of 2.8492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-nitro-4-(trifluoromethyl)aniline. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-6-nitro-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 2-Chloro-6-nitro-4-(trifluoromethyl)aniline 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
Frequently Asked Questions
What is the CAS number of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline?
The CAS number of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline is 57729-79-0.
What is the molecular formula of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline?
The molecular formula of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline is C7H4ClF3N2O2.
What is the molecular weight of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline?
The molecular weight of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline is 239.99 g/mol.
Where can I buy 2-Chloro-6-nitro-4-(trifluoromethyl)aniline?
You can request a quote for 2-Chloro-6-nitro-4-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-nitro-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-nitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.