3-Chloro-2-nitroaniline
TL;DR: 3-Chloro-2-nitroaniline (CAS 59483-54-4) is a chemical compound with molecular formula C6H5ClN2O2 and molecular weight 172.00395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-2-nitroaniline
Also Known As: 3-Chloro-2-nitroaniline, salzsaure Nitroanilin, 3-chlor-2-nitroanilin, 3-chloro-2-nitro-aniline, 2-Nitro-3-chloroaniline
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5ClN2O2 |
| Molecular Weight | 172.00395 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.00395 Da |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])N |
| InChIKey | YADOEPHJIBKBCN-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-2-nitroaniline
Property Insights of 3-Chloro-2-nitroaniline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-2-nitroaniline. Following Lipinski's Rule of Five, 3-Chloro-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
What is the CAS number of 3-Chloro-2-nitroaniline?
The CAS number of 3-Chloro-2-nitroaniline is 59483-54-4.
What is the molecular formula of 3-Chloro-2-nitroaniline?
The molecular formula of 3-Chloro-2-nitroaniline is C6H5ClN2O2.
What is the molecular weight of 3-Chloro-2-nitroaniline?
The molecular weight of 3-Chloro-2-nitroaniline is 172.00395 g/mol.
Where can I buy 3-Chloro-2-nitroaniline?
You can request a quote for 3-Chloro-2-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-2-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.