2-Chloro-4-nitroaniline
TL;DR: 2-Chloro-4-nitroaniline (CAS 121-87-9) 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.
2-chloro-4-nitroaniline
Also Known As: 2-Chloro-4-nitroaniline, Ocpna, o-Chloro-p-nitroaniline, 2-Chloro-4-nitrobenzenamine, 4-Nitro-2-chloroaniline
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5ClN2O2 |
| Molecular Weight | 172.00395 g/mol |
| XLogP | 2.1 |
| 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 |
| Melting Point | 225 to 228 °F (NTP, 1992) |
| Flash Point | 205 °C |
| Vapor Pressure | 0.000485 [mmHg] |
| Solubility | Very soluble in ether, ethanol, acetic acid |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)N |
| InChIKey | LOCWBQIWHWIRGN-UHFFFAOYSA-N |
Product Description
Applications: 2-Chloro-4-nitroaniline is used in dye and pigment synthesis and coloration chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-Chloro-4-nitroaniline is a dye and pigment intermediate identified by CAS number 121-87-9 and the molecular formula C6H5ClN2O2 and a molecular weight of 172 g/mol. Physically, the compound has a solubility: Very soluble in ether, ethanol, acetic acid. Synonyms include 2-Chloro-4-nitroaniline and Ocpna.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Chloro-4-nitroaniline
Property Insights of 2-Chloro-4-nitroaniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-nitroaniline. Following Lipinski's Rule of Five, 2-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
What is the CAS number of 2-Chloro-4-nitroaniline?
The CAS number of 2-Chloro-4-nitroaniline is 121-87-9.
What is the molecular formula of 2-Chloro-4-nitroaniline?
The molecular formula of 2-Chloro-4-nitroaniline is C6H5ClN2O2.
What is the molecular weight of 2-Chloro-4-nitroaniline?
The molecular weight of 2-Chloro-4-nitroaniline is 172.00395 g/mol.
What are the applications of 2-Chloro-4-nitroaniline?
2-Chloro-4-nitroaniline is used in dye and pigment synthesis and coloration chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project...
Where can I buy 2-Chloro-4-nitroaniline?
You can request a quote for 2-Chloro-4-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-4-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.