3-Chloro-2-methylaniline
TL;DR: 3-Chloro-2-methylaniline (CAS 87-60-5) 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-2-methylaniline
Also Known As: 3-Chloro-2-methylaniline, 3-Chloro-o-toluidine, Scarlet TR Base, 2-Amino-6-chlorotoluene, Fast Scarlet TR Base
| Molecular Formula | C7H8ClN |
|---|---|
| Molecular Weight | 141.03 g/mol |
| LogP | 3.0 |
| 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 | O-2 °C |
| Boiling Point | 245 °C @ 760 MM HG |
| Solubility | SOL IN HOT WATER; INSOL IN ETHER & BENZENE |
| Vapor Pressure | 0.04 [mmHg] |
| Refractive Index | 1.5880 @ 20 °C |
Chemical Identifiers
| CAS Number | 87-60-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N |
| InChIKey | ZUVPLKVDZNDZCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-2-methylaniline (CAS 87-60-5), with molecular formula C7H8ClN and molecular weight 141.03 g/mol. IUPAC: 3-chloro-2-methylaniline.
Chemical Property Profile of 3-Chloro-2-methylaniline
Property Insights of 3-Chloro-2-methylaniline
The XLogP value of 3.0 indicates that 3-Chloro-2-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Chloro-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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
Frequently Asked Questions
What is the CAS number of 3-Chloro-2-methylaniline?
The CAS number of 3-Chloro-2-methylaniline is 87-60-5.
What is the molecular formula of 3-Chloro-2-methylaniline?
The molecular formula of 3-Chloro-2-methylaniline is C7H8ClN.
What is the molecular weight of 3-Chloro-2-methylaniline?
The molecular weight of 3-Chloro-2-methylaniline is 141.03 g/mol.
Where can I buy 3-Chloro-2-methylaniline?
You can request a quote for 3-Chloro-2-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-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.