4-Chloro-2-toluidine
TL;DR: 4-Chloro-2-toluidine (CAS 95-69-2) 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.
4-chloro-2-methylaniline
Also Known As: 4-Chloro-2-methylaniline, 4-CHLORO-O-TOLUIDINE, 2-Amino-5-chlorotoluene, Fast Red TR Base, p-Chloro-o-toluidine
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8ClN |
| Molecular Weight | 141.03453 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 | 141.03453 Da |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
| Melting Point | 72 °F (NTP, 1992) |
| Boiling Point | 466 °F at 760 mmHg (NTP, 1992) |
| Density | greater than 1.1 at 68 °F (est) (USCG, 1999) |
| Flash Point | 320 °F (NTP, 1992) |
| Vapor Pressure | 0.04 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.5848 @ 20 °C/D ; MAX ABSORPTION (METHANOL): 296 NM (E= 180), 242 NM (E= 939) |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | CC1=C(C=CC(=C1)Cl)N |
| InChIKey | CXNVOWPRHWWCQR-UHFFFAOYSA-N |
Product Description
Applications: 4-Chloro-2-toluidine 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. CoreyChem supplies 4-Chloro-2-toluidine (CAS 95-69-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Chloro-2-toluidine (CAS 95-69-2) 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 greater than 1.1 at 68 °F (est) (USCG, 1999) g/cm³, a solubility: less than 1 mg/mL at 68 °F (NTP, 1992). It is also known as 4-Chloro-2-methylaniline and 4-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 4-Chloro-2-toluidine
Property Insights of 4-Chloro-2-toluidine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-toluidine. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Chloro-2-toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-toluidine 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-Chloro-2-toluidine?
The CAS number of 4-Chloro-2-toluidine is 95-69-2.
What is the molecular formula of 4-Chloro-2-toluidine?
The molecular formula of 4-Chloro-2-toluidine is C7H8ClN.
What is the molecular weight of 4-Chloro-2-toluidine?
The molecular weight of 4-Chloro-2-toluidine is 141.03453 g/mol.
What are the applications of 4-Chloro-2-toluidine?
4-Chloro-2-toluidine 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. CoreyChem supplies 4-Chloro-2-toluidine (CAS 95-69-2)...
Where can I buy 4-Chloro-2-toluidine?
You can request a quote for 4-Chloro-2-toluidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2-toluidine?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.