3,4,5-Trichloroaniline
TL;DR: 3,4,5-Trichloroaniline (CAS 634-91-3) is a chemical compound with molecular formula C6H4Cl3N and molecular weight 194.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trichloroaniline
Also Known As: 3,4,5-TRICHLOROANILINE, 3,4,5-Trichlorobenzenamine, Benzenamine, 3,4,5-trichloro-, Aniline, 3,4,5-trichloro-, 3,4,5 trichloroaniline
| Molecular Formula | C6H4Cl3N |
|---|---|
| Molecular Weight | 194.94 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.94093 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 634-91-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)Cl)Cl)N |
| InChIKey | XOGYQVITULCUGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trichloroaniline (CAS 634-91-3), with molecular formula C6H4Cl3N and molecular weight 194.94 g/mol. IUPAC: 3,4,5-trichloroaniline.
Chemical Property Profile of 3,4,5-Trichloroaniline
Property Insights of 3,4,5-Trichloroaniline
The XLogP value of 3.3 indicates that 3,4,5-Trichloroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 3,4,5-Trichloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trichloroaniline 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 3,4,5-Trichloroaniline?
The CAS number of 3,4,5-Trichloroaniline is 634-91-3.
What is the molecular formula of 3,4,5-Trichloroaniline?
The molecular formula of 3,4,5-Trichloroaniline is C6H4Cl3N.
What is the molecular weight of 3,4,5-Trichloroaniline?
The molecular weight of 3,4,5-Trichloroaniline is 194.94 g/mol.
Where can I buy 3,4,5-Trichloroaniline?
You can request a quote for 3,4,5-Trichloroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trichloroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trichloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.