2,4,6-Trichloroisophthalonitrile
TL;DR: 2,4,6-Trichloroisophthalonitrile (CAS 19861-59-7) is a chemical compound with molecular formula C8HCl3N2 and molecular weight 229.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trichlorobenzene-1,3-dicarbonitrile
Also Known As: 2,4,6-Trichloroisophthalonitrile, C8HCl3N2, 2,4,6-Trichloro-1,3-benzenedicarbonitrile, 2,4,6-trichlorobenzene-1,3-dicarbonitrile, Isophthalonitrile, 2,4,6-trichloro-
| Molecular Formula | C8HCl3N2 |
|---|---|
| Molecular Weight | 229.92 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.92053 |
| Heavy Atoms | 13 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 19861-59-7 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)C#N)Cl)C#N)Cl |
| InChIKey | YVSUWIHEYZXJGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trichloroisophthalonitrile (CAS 19861-59-7), with molecular formula C8HCl3N2 and molecular weight 229.92 g/mol. IUPAC: 2,4,6-trichlorobenzene-1,3-dicarbonitrile.
Chemical Property Profile of 2,4,6-Trichloroisophthalonitrile
Property Insights of 2,4,6-Trichloroisophthalonitrile
The XLogP value of 3.2 indicates that 2,4,6-Trichloroisophthalonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2,4,6-Trichloroisophthalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trichloroisophthalonitrile has 0 hydrogen bond donor(s) and 2 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 2,4,6-Trichloroisophthalonitrile?
The CAS number of 2,4,6-Trichloroisophthalonitrile is 19861-59-7.
What is the molecular formula of 2,4,6-Trichloroisophthalonitrile?
The molecular formula of 2,4,6-Trichloroisophthalonitrile is C8HCl3N2.
What is the molecular weight of 2,4,6-Trichloroisophthalonitrile?
The molecular weight of 2,4,6-Trichloroisophthalonitrile is 229.92 g/mol.
Where can I buy 2,4,6-Trichloroisophthalonitrile?
You can request a quote for 2,4,6-Trichloroisophthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trichloroisophthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trichloroisophthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.