3-Chloroaniline
TL;DR: 3-Chloroaniline (CAS 108-42-9) 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.
3-chloroaniline
Also Known As: 3-CHLOROANILINE, m-Chloroaniline, 3-Chlorobenzenamine, m-Chloraniline, 3-Chlorophenylamine
Application Areas
Top 5 of 21 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 | 74.0 |
| Melting Point | 13.5 °F (NTP, 1992) |
| Boiling Point | 446.9 °F at 760 mmHg (NTP, 1992) |
| Density | 1.216 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 255 °F (NTP, 1992) |
| Vapor Pressure | less than 0.1 mmHg at 86 °F ; 1 mmHg at 146.3 °F; 760 mmHg at 443.3 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5931 at 20 °C/D |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | C1=CC(=CC(=C1)Cl)N |
| InChIKey | PNPCRKVUWYDDST-UHFFFAOYSA-N |
Product Description
Applications: 3-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. CoreyChem supplies 3-Chloroaniline (CAS 108-42-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Chloroaniline is a heterocyclic building block identified by CAS number 108-42-9 and the molecular formula C6H6ClN and a molecular weight of 127.02 g/mol. Physically, the compound has a density of 1.216 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 64 °F (NTP, 1992). It is also known as 3-CHLOROANILINE and m-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 3-Chloroaniline
Property Insights of 3-Chloroaniline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Chloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Chloroaniline?
The CAS number of 3-Chloroaniline is 108-42-9.
What is the molecular formula of 3-Chloroaniline?
The molecular formula of 3-Chloroaniline is C6H6ClN.
What is the molecular weight of 3-Chloroaniline?
The molecular weight of 3-Chloroaniline is 127.018875 g/mol.
What are the applications of 3-Chloroaniline?
3-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. CoreyChem supplies 3-Chloroaniline (CAS 108-42-9) with...
Where can I buy 3-Chloroaniline?
You can request a quote for 3-Chloroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloroaniline?
Yes, CoreyChem provides custom synthesis services for 3-Chloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.