Trichloronaphthalene
TL;DR: Trichloronaphthalene (CAS 12698-79-2) is a chemical compound with molecular formula C10H5Cl3 and molecular weight 229.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trichloronaphthalene
Also Known As: 1,2,3-Trichloronaphthalene, Nibren, Trichlornaphthalin, Trichloronaphthanalene, Naphthalene, trichloro-
| Molecular Formula | C10H5Cl3 |
|---|---|
| Molecular Weight | 229.95 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.94568 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 12698-79-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=C2Cl)Cl)Cl |
| InChIKey | QEPTXDCPBXMWJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trichloronaphthalene (CAS 12698-79-2), with molecular formula C10H5Cl3 and molecular weight 229.95 g/mol. IUPAC: 1,2,3-trichloronaphthalene.
Chemical Property Profile of Trichloronaphthalene
Property Insights of Trichloronaphthalene
The XLogP value of 5.1 indicates that Trichloronaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Trichloronaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichloronaphthalene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trichloronaphthalene?
The CAS number of Trichloronaphthalene is 12698-79-2.
What is the molecular formula of Trichloronaphthalene?
The molecular formula of Trichloronaphthalene is C10H5Cl3.
What is the molecular weight of Trichloronaphthalene?
The molecular weight of Trichloronaphthalene is 229.95 g/mol.
Where can I buy Trichloronaphthalene?
You can request a quote for Trichloronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichloronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for Trichloronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.