2-Bromo-6-chloro-4-nitroaniline
TL;DR: 2-Bromo-6-chloro-4-nitroaniline (CAS 99-29-6) is a chemical compound with molecular formula C6H4BrClN2O2 and molecular weight 249.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-6-chloro-4-nitroaniline
Also Known As: 2-Bromo-6-chloro-4-nitroaniline, 2-Chloro-4-nitro-6-bromoaniline, null, Benzenamine, 2-bromo-6-chloro-4-nitro-, 6-Bromo-2-chloro-4-nitroaniline
| Molecular Formula | C6H4BrClN2O2 |
|---|---|
| Molecular Weight | 249.91 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.91447 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 99-29-6 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)N)Br)[N+](=O)[O-] |
| InChIKey | GLUCALKKMFBJEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-6-chloro-4-nitroaniline (CAS 99-29-6), with molecular formula C6H4BrClN2O2 and molecular weight 249.91 g/mol. IUPAC: 2-bromo-6-chloro-4-nitroaniline.
Chemical Property Profile of 2-Bromo-6-chloro-4-nitroaniline
Property Insights of 2-Bromo-6-chloro-4-nitroaniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-6-chloro-4-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-6-chloro-4-nitroaniline. Following Lipinski's Rule of Five, 2-Bromo-6-chloro-4-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 2-Bromo-6-chloro-4-nitroaniline?
The CAS number of 2-Bromo-6-chloro-4-nitroaniline is 99-29-6.
What is the molecular formula of 2-Bromo-6-chloro-4-nitroaniline?
The molecular formula of 2-Bromo-6-chloro-4-nitroaniline is C6H4BrClN2O2.
What is the molecular weight of 2-Bromo-6-chloro-4-nitroaniline?
The molecular weight of 2-Bromo-6-chloro-4-nitroaniline is 249.91 g/mol.
Where can I buy 2-Bromo-6-chloro-4-nitroaniline?
You can request a quote for 2-Bromo-6-chloro-4-nitroaniline 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-chloro-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-6-chloro-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.