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 141.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C7H8ClN |
|---|---|
| Molecular Weight | 141.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.03453 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
| Melting Point | 22.2 °C |
| Boiling Point | 241.1 °C at 760 mmHg |
| Density | greater than 1.1 at 20.0 °C (est) |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 160.0 °C |
| Vapor Pressure | 0.04 [mmHg] |
| Refractive Index | 1.5848 @ 20 °C ; MAX ABSORPTION (METHANOL): 296 NM (E= 180), 242 NM (E= 939) |
Chemical Identifiers
| CAS Number | 95-69-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)N |
| InChIKey | CXNVOWPRHWWCQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-toluidine (CAS 95-69-2), with molecular formula C7H8ClN and molecular weight 141.03 g/mol. IUPAC: 4-chloro-2-methylaniline.
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
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 141.03 g/mol.
Where can I buy 4-Chloro-2-toluidine?
You can request a quote for 4-Chloro-2-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-toluidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.