4-Bromo-2-nitroaniline
TL;DR: 4-Bromo-2-nitroaniline (CAS 875-51-4) is a chemical compound with molecular formula C6H5BrN2O2 and molecular weight 215.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-nitroaniline
Also Known As: 4-Bromo-2-nitroaniline, Benzenamine, 4-bromo-2-nitro-, 2-Nitro-4-bromoaniline, 4-Bromo-o-nitroaniline, p-Bromo-o-nitroaniline
| Molecular Formula | C6H5BrN2O2 |
|---|---|
| Molecular Weight | 215.95 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.95345 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 875-51-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)[N+](=O)[O-])N |
| InChIKey | ZCWBZRBJSPWUPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-2-nitroaniline (CAS 875-51-4), with molecular formula C6H5BrN2O2 and molecular weight 215.95 g/mol. IUPAC: 4-bromo-2-nitroaniline.
Chemical Property Profile of 4-Bromo-2-nitroaniline
Property Insights of 4-Bromo-2-nitroaniline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-nitroaniline. Following Lipinski's Rule of Five, 4-Bromo-2-nitroaniline 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 4-Bromo-2-nitroaniline?
The CAS number of 4-Bromo-2-nitroaniline is 875-51-4.
What is the molecular formula of 4-Bromo-2-nitroaniline?
The molecular formula of 4-Bromo-2-nitroaniline is C6H5BrN2O2.
What is the molecular weight of 4-Bromo-2-nitroaniline?
The molecular weight of 4-Bromo-2-nitroaniline is 215.95 g/mol.
Where can I buy 4-Bromo-2-nitroaniline?
You can request a quote for 4-Bromo-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.