5-Chloro-2-methylaniline
TL;DR: 5-Chloro-2-methylaniline (CAS 95-79-4) 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.
5-chloro-2-methylaniline
Also Known As: 5-Chloro-2-methylaniline, 5-CHLORO-O-TOLUIDINE, Ansibase Red KB, Fast Red KB base, 2-Amino-4-chlorotoluene
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8ClN |
| Molecular Weight | 141.03453 g/mol |
| XLogP | 1.4 |
| 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 | 26 °C |
| Boiling Point | 237 °C AT 722 MM HG |
| Vapor Pressure | 0.04 [mmHg] |
| Solubility | SOL IN HOT ALCOHOL |
| SMILES | CC1=C(C=C(C=C1)Cl)N |
| InChIKey | WRZOMWDJOLIVQP-UHFFFAOYSA-N |
Product Description
Applications: 5-Chloro-2-methylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as dye and pigment synthesis and coloration chemistry. 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).
A heterocyclic building block supplied by CoreyChem, 5-Chloro-2-methylaniline (CAS 95-79-4) has the molecular formula C7H8ClN and a molecular weight of 141.03 g/mol. Reported properties include a solubility: SOL IN HOT ALCOHOL. Synonyms include 5-Chloro-2-methylaniline and 5-CHLORO-O-TOLUIDINE.
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 5-Chloro-2-methylaniline
Property Insights of 5-Chloro-2-methylaniline
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-methylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 5-Chloro-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-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 5-Chloro-2-methylaniline?
The CAS number of 5-Chloro-2-methylaniline is 95-79-4.
What is the molecular formula of 5-Chloro-2-methylaniline?
The molecular formula of 5-Chloro-2-methylaniline is C7H8ClN.
What is the molecular weight of 5-Chloro-2-methylaniline?
The molecular weight of 5-Chloro-2-methylaniline is 141.03453 g/mol.
What are the applications of 5-Chloro-2-methylaniline?
5-Chloro-2-methylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as dye and pigment synthesis and coloration chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 5-Chloro-2-methylaniline?
You can request a quote for 5-Chloro-2-methylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-2-methylaniline?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.