2-Bromo-4,6-dinitro-N-phenylaniline
TL;DR: 2-Bromo-4,6-dinitro-N-phenylaniline (CAS 91330-95-9) is a chemical compound with molecular formula C12H8BrN3O4 and molecular weight 336.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4,6-dinitro-N-phenylaniline
Also Known As: 2-Bromo-4,6-dinitro-N-phenylaniline, N-(2-bromo-4,6-dinitrophenyl)-N-phenylamine, (6-bromo-2,4-dinitrophenyl)phenylamine, 2-Bromo-4,6-dinitro-N-phenylaniline #, 2-bromanyl-4,6-dinitro-N-phenyl-aniline
| Molecular Formula | C12H8BrN3O4 |
|---|---|
| Molecular Weight | 336.97 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.96982 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 91330-95-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GGNFTBUSSNQONZ-UHFFFAOYSA-N |
Product Overview
2-Bromo-4,6-dinitro-N-phenylaniline (CAS 91330-95-9), with molecular formula C12H8BrN3O4 and molecular weight 336.97 g/mol. IUPAC: 2-bromo-4,6-dinitro-N-phenylaniline.
Chemical Property Profile of 2-Bromo-4,6-dinitro-N-phenylaniline
Property Insights of 2-Bromo-4,6-dinitro-N-phenylaniline
The XLogP value of 4.4 indicates that 2-Bromo-4,6-dinitro-N-phenylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-4,6-dinitro-N-phenylaniline. Following Lipinski's Rule of Five, 2-Bromo-4,6-dinitro-N-phenylaniline 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
Frequently Asked Questions
What is the CAS number of 2-Bromo-4,6-dinitro-N-phenylaniline?
The CAS number of 2-Bromo-4,6-dinitro-N-phenylaniline is 91330-95-9.
What is the molecular formula of 2-Bromo-4,6-dinitro-N-phenylaniline?
The molecular formula of 2-Bromo-4,6-dinitro-N-phenylaniline is C12H8BrN3O4.
What is the molecular weight of 2-Bromo-4,6-dinitro-N-phenylaniline?
The molecular weight of 2-Bromo-4,6-dinitro-N-phenylaniline is 336.97 g/mol.
Where can I buy 2-Bromo-4,6-dinitro-N-phenylaniline?
You can request a quote for 2-Bromo-4,6-dinitro-N-phenylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4,6-dinitro-N-phenylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4,6-dinitro-N-phenylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.