2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate
TL;DR: 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate (CAS 219620-03-8) is a chemical compound with molecular formula C14H5BrClF3N2O6 and molecular weight 467.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 4-chloro-3-nitrobenzoate
Also Known As: 2-bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate, [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 4-chloro-3-nitrobenzoate, [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 4-chloro-3-nitro-benzoate
| Molecular Formula | C14H5BrClF3N2O6 |
|---|---|
| Molecular Weight | 467.90 g/mol |
| LogP | 5.1569 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.89716 |
| Heavy Atoms | 27 |
| Complexity | 966.5993 |
Chemical Identifiers
| CAS Number | 219620-03-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)OC2=C(C=C(C=C2Br)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate (CAS 219620-03-8), with molecular formula C14H5BrClF3N2O6 and molecular weight 467.90 g/mol. IUPAC: [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 4-chloro-3-nitrobenzoate.
Chemical Property Profile of 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate
Property Insights of 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate
The XLogP value of 5.1569 indicates that 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate. Following Lipinski's Rule of Five, 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate?
The CAS number of 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate is 219620-03-8.
What is the molecular formula of 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate?
The molecular formula of 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate is C14H5BrClF3N2O6.
What is the molecular weight of 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate?
The molecular weight of 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate is 467.90 g/mol.
Where can I buy 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate?
You can request a quote for 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-6-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.