Nonachloromesitylene
TL;DR: Nonachloromesitylene (CAS 729-80-6) is a chemical compound with molecular formula C9H3Cl9 and molecular weight 425.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tris(trichloromethyl)benzene
Also Known As: Nonachloromesitylene, 1,3,5-Tris(trichloromethyl)benzene, Benzene, 1,3,5-tris(trichloromethyl)-, 1,3,5-Tris(trichloromethyl)benzene #, Benzene, 1,3,5-tris[trichloromethyl]-
| Molecular Formula | C9H3Cl9 |
|---|---|
| Molecular Weight | 425.74 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 429.73724 |
| Heavy Atoms | 18 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 729-80-6 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | DDTHLQVVHGZPQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nonachloromesitylene (CAS 729-80-6), with molecular formula C9H3Cl9 and molecular weight 425.74 g/mol. IUPAC: 1,3,5-tris(trichloromethyl)benzene.
Chemical Property Profile of Nonachloromesitylene
Property Insights of Nonachloromesitylene
The XLogP value of 6.8 indicates that Nonachloromesitylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Nonachloromesitylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonachloromesitylene 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 Nonachloromesitylene?
The CAS number of Nonachloromesitylene is 729-80-6.
What is the molecular formula of Nonachloromesitylene?
The molecular formula of Nonachloromesitylene is C9H3Cl9.
What is the molecular weight of Nonachloromesitylene?
The molecular weight of Nonachloromesitylene is 425.74 g/mol.
Where can I buy Nonachloromesitylene?
You can request a quote for Nonachloromesitylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonachloromesitylene?
Yes, KEHONG BIO provides custom synthesis services for Nonachloromesitylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.