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 141.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-methylaniline
Also Known As: 3-Chloro-4-methylaniline, 2-Chloro-4-aminotoluene, 3-CHLORO-P-TOLUIDINE, 4-Amino-2-chlorotoluene, Starlicide
| Molecular Formula | C7H8ClN |
|---|---|
| Molecular Weight | 141.03 g/mol |
| LogP | 2.9 |
| 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 | 26.1 °C |
| Boiling Point | 468 to 243.9 °C at 760 mmHg |
| Density | 1.108 |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 100.0 °C |
| Vapor Pressure | 0.085 mmHg at 25.0 °C |
Chemical Identifiers
| CAS Number | 95-74-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N)Cl |
| InChIKey | RQKFYFNZSHWXAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-4-methylaniline (CAS 95-74-9), with molecular formula C7H8ClN and molecular weight 141.03 g/mol. IUPAC: 3-chloro-4-methylaniline.
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
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 141.03 g/mol.
Where can I buy 3-Chloro-4-methylaniline?
You can request a quote for 3-Chloro-4-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.