4-Chloroaniline
TL;DR: 4-Chloroaniline (CAS 106-47-8) is a chemical compound with molecular formula C6H6ClN and molecular weight 127.018875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloroaniline
Also Known As: 4-CHLOROANILINE, p-Chloroaniline, 4-Chlorobenzenamine, p-Chloraniline, 4-Chlorophenylamine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6ClN |
| Molecular Weight | 127.018875 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.018875 Da |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
| Melting Point | 162.5 °F (NTP, 1992) |
| Boiling Point | 450 °F at 760 mmHg (NTP, 1992) |
| Density | 1.43 at 66.2 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 235 °F (NTP, 1992) |
| Vapor Pressure | 0.015 mmHg at 68 °F ; 0.05 mmHg at 86 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5546 at 87 °C/D |
| Solubility | less than 1 mg/mL at 74.3 °F (NTP, 1992) |
| SMILES | C1=CC(=CC=C1N)Cl |
| InChIKey | QSNSCYSYFYORTR-UHFFFAOYSA-N |
Product Description
Applications: 4-Chloroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, 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).
4-Chloroaniline (CAS 106-47-8) is a heterocyclic building block with the molecular formula C6H6ClN and a molecular weight of 127.02 g/mol. Key physical properties include a density of 1.43 at 66.2 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 74.3 °F (NTP, 1992). Synonyms include 4-CHLOROANILINE and p-Chloroaniline.
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-Chloroaniline
Property Insights of 4-Chloroaniline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Chloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloroaniline has 1 hydrogen bond donor(s) and 1 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-Chloroaniline?
The CAS number of 4-Chloroaniline is 106-47-8.
What is the molecular formula of 4-Chloroaniline?
The molecular formula of 4-Chloroaniline is C6H6ClN.
What is the molecular weight of 4-Chloroaniline?
The molecular weight of 4-Chloroaniline is 127.018875 g/mol.
What are the applications of 4-Chloroaniline?
4-Chloroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, 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...
Where can I buy 4-Chloroaniline?
You can request a quote for 4-Chloroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloroaniline?
Yes, CoreyChem provides custom synthesis services for 4-Chloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.