3-Chloro-4-methylaniline
TL;DR: 3-Chloro-4-methylaniline (CAS 95-74-9) is a chemical compound with molecular formula C7H8ClN and molecular weight 141.03453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-4-methylaniline
Also Known As: 3-Chloro-4-methylaniline, 2-Chloro-4-aminotoluene, 3-CHLORO-P-TOLUIDINE, 4-Amino-2-chlorotoluene, Starlicide
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8ClN |
| Molecular Weight | 141.03453 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.03453 Da |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
| Melting Point | 79 °F (NTP, 1992) |
| Boiling Point | 468 to 471 °F at 760 mmHg (NTP, 1992) |
| Density | 1.108 (NTP, 1992) - Denser than water; will sink |
| Flash Point | 212 °F (NTP, 1992) |
| Vapor Pressure | 0.085 mmHg at 77 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | CC1=C(C=C(C=C1)N)Cl |
| InChIKey | RQKFYFNZSHWXAW-UHFFFAOYSA-N |
Product Description
Applications: 3-Chloro-4-methylaniline 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-Chloro-4-methylaniline (CAS 95-74-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Chloro-4-methylaniline (CAS 95-74-9) is a heterocyclic building block with the molecular formula C7H8ClN and a molecular weight of 141.03 g/mol. Key physical properties include a density of 1.108 (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 72 °F (NTP, 1992). It is also known as 3-Chloro-4-methylaniline and 2-Chloro-4-aminotoluene.
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-Chloro-4-methylaniline
Property Insights of 3-Chloro-4-methylaniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-methylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Chloro-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-methylaniline 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-Chloro-4-methylaniline?
The CAS number of 3-Chloro-4-methylaniline is 95-74-9.
What is the molecular formula of 3-Chloro-4-methylaniline?
The molecular formula of 3-Chloro-4-methylaniline is C7H8ClN.
What is the molecular weight of 3-Chloro-4-methylaniline?
The molecular weight of 3-Chloro-4-methylaniline is 141.03453 g/mol.
What are the applications of 3-Chloro-4-methylaniline?
3-Chloro-4-methylaniline 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-Chloro-4-methylaniline (CAS...
Where can I buy 3-Chloro-4-methylaniline?
You can request a quote for 3-Chloro-4-methylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-4-methylaniline?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.