2,3,6-Trichlorobenzoyl chloride
TL;DR: 2,3,6-Trichlorobenzoyl chloride (CAS 4093-17-8) is a chemical compound with molecular formula C7H2Cl4O and molecular weight 241.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6-trichlorobenzoyl chloride
Also Known As: 2,3,6-Trichlorobenzoyl chloride, 2,3,6-Trichlor-benzoylchlorid, Benzoyl chloride, 2,3,6-trichloro-, 2,3,6-Trichlorobenzoic acid chloride, RefChem:244281
| Molecular Formula | C7H2Cl4O |
|---|---|
| Molecular Weight | 241.89 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.88597 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 4093-17-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1Cl)C(=O)Cl)Cl)Cl |
| InChIKey | BOBWPULZPJBMFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,6-Trichlorobenzoyl chloride (CAS 4093-17-8), with molecular formula C7H2Cl4O and molecular weight 241.89 g/mol. IUPAC: 2,3,6-trichlorobenzoyl chloride.
Chemical Property Profile of 2,3,6-Trichlorobenzoyl chloride
Property Insights of 2,3,6-Trichlorobenzoyl chloride
The XLogP value of 4.5 indicates that 2,3,6-Trichlorobenzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,3,6-Trichlorobenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-Trichlorobenzoyl chloride has 0 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-Trichlorobenzoyl chloride?
The CAS number of 2,3,6-Trichlorobenzoyl chloride is 4093-17-8.
What is the molecular formula of 2,3,6-Trichlorobenzoyl chloride?
The molecular formula of 2,3,6-Trichlorobenzoyl chloride is C7H2Cl4O.
What is the molecular weight of 2,3,6-Trichlorobenzoyl chloride?
The molecular weight of 2,3,6-Trichlorobenzoyl chloride is 241.89 g/mol.
Where can I buy 2,3,6-Trichlorobenzoyl chloride?
You can request a quote for 2,3,6-Trichlorobenzoyl chloride 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-Trichlorobenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-Trichlorobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.