2,3,6-三氯苄胺
TL;DR: 2,3,6-三氯苄胺 (CAS 73998-96-6) 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.
2,3,6-三氯苄胺
2,3,6-trichloroaniline
Also Known As: 2,3,6-trichloroaniline, 2,3,6-Trichloro-phenylamine, Benzamine, 2,3,6-trichloro-, Benzenamine,2,3,6-trichloro-, Benzenamine, 2,3,6-trichloro-
| Molecular Formula | C6H4Cl3N |
|---|---|
| Molecular Weight | 194.94 g/mol |
| LogP | 3.7 |
| 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 | 120.0 |
Chemical Identifiers
| CAS Number | 73998-96-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1Cl)N)Cl)Cl |
| InChIKey | ZJMMPUVJZQBMEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,6-三氯苄胺 (CAS 73998-96-6), with molecular formula C6H4Cl3N and molecular weight 194.94 g/mol. IUPAC: 2,3,6-trichloroaniline.
Chemical Property Profile of 2,3,6-三氯苄胺
Property Insights of 2,3,6-三氯苄胺
The XLogP value of 3.7 indicates that 2,3,6-三氯苄胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 2,3,6-三氯苄胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-三氯苄胺 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 2,3,6-三氯苄胺?
The CAS number of 2,3,6-三氯苄胺 is 73998-96-6.
What is the molecular formula of 2,3,6-三氯苄胺?
The molecular formula of 2,3,6-三氯苄胺 is C6H4Cl3N.
What is the molecular weight of 2,3,6-三氯苄胺?
The molecular weight of 2,3,6-三氯苄胺 is 194.94 g/mol.
Where can I buy 2,3,6-三氯苄胺?
You can request a quote for 2,3,6-三氯苄胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-三氯苄胺?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-三氯苄胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.