4-Chloro-2-nitroaniline
TL;DR: 4-Chloro-2-nitroaniline (CAS 89-63-4) 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.
4-chloro-2-nitroaniline
Also Known As: 4-CHLORO-2-NITROANILINE, Red Salt Nbgl, PCON, p-Chloro-o-nitroaniline, Devol Red F
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5ClN2O2 |
| Molecular Weight | 172.00395 g/mol |
| XLogP | 2.7 |
| 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 | 241 to 243 °F (NTP, 1992) |
| Vapor Pressure | 0.000485 [mmHg] |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])N |
| InChIKey | PBGKNXWGYQPUJK-UHFFFAOYSA-N |
Product Description
Applications: 4-Chloro-2-nitroaniline is used in dye and pigment synthesis and coloration chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
4-Chloro-2-nitroaniline (CAS 89-63-4) is a dye and pigment intermediate with the molecular formula C6H5ClN2O2 and a molecular weight of 172 g/mol. Key physical properties include a solubility: less than 1 mg/mL at 72 °F (NTP, 1992). Synonyms include 4-CHLORO-2-NITROANILINE and Red Salt Nbgl.
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 4-Chloro-2-nitroaniline
Property Insights of 4-Chloro-2-nitroaniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-nitroaniline. Following Lipinski's Rule of Five, 4-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 4-Chloro-2-nitroaniline?
The CAS number of 4-Chloro-2-nitroaniline is 89-63-4.
What is the molecular formula of 4-Chloro-2-nitroaniline?
The molecular formula of 4-Chloro-2-nitroaniline is C6H5ClN2O2.
What is the molecular weight of 4-Chloro-2-nitroaniline?
The molecular weight of 4-Chloro-2-nitroaniline is 172.00395 g/mol.
What are the applications of 4-Chloro-2-nitroaniline?
4-Chloro-2-nitroaniline is used in dye and pigment synthesis and coloration chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Chloro-2-nitroaniline?
You can request a quote for 4-Chloro-2-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.