3-Chloro-4-nitroaniline
TL;DR: 3-Chloro-4-nitroaniline (CAS 825-41-2) is a chemical compound with molecular formula C6H5ClN2O2 and molecular weight 172.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-nitroaniline
Also Known As: 3-Chloro-4-nitroaniline, Benzenamine, 3-chloro-4-nitro-, Aniline, 3-chloro-4-nitro-, 3-chlor-4-nitroanilin, zlchem 908
| Molecular Formula | C6H5ClN2O2 |
|---|---|
| Molecular Weight | 172.00 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.00395 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 825-41-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)Cl)[N+](=O)[O-] |
| InChIKey | LDSIOPGMLLPSSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-4-nitroaniline (CAS 825-41-2), with molecular formula C6H5ClN2O2 and molecular weight 172.00 g/mol. IUPAC: 3-chloro-4-nitroaniline.
Chemical Property Profile of 3-Chloro-4-nitroaniline
Property Insights of 3-Chloro-4-nitroaniline
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-nitroaniline. Following Lipinski's Rule of Five, 3-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 3-Chloro-4-nitroaniline?
The CAS number of 3-Chloro-4-nitroaniline is 825-41-2.
What is the molecular formula of 3-Chloro-4-nitroaniline?
The molecular formula of 3-Chloro-4-nitroaniline is C6H5ClN2O2.
What is the molecular weight of 3-Chloro-4-nitroaniline?
The molecular weight of 3-Chloro-4-nitroaniline is 172.00 g/mol.
Where can I buy 3-Chloro-4-nitroaniline?
You can request a quote for 3-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 3-Chloro-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.