2,6-Dimethylbenzoyl chloride
TL;DR: 2,6-Dimethylbenzoyl chloride (CAS 21900-37-8) is a chemical compound with molecular formula C9H9ClO and molecular weight 168.0342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dimethylbenzoyl chloride
Also Known As: 2,6-Dimethylbenzoyl chloride, Benzoyl chloride,2,6-dimethyl-, Benzoyl chloride, 2,6-dimethyl-, 2,6-dimethylbenzoylchloride, 2,6-dimethyl-benzoyl chloride
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9ClO |
| Molecular Weight | 168.0342 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.0342 Da |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
| SMILES | CC1=C(C(=CC=C1)C)C(=O)Cl |
| InChIKey | CFLAYISSADVCJH-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Dimethylbenzoyl chloride
Property Insights of 2,6-Dimethylbenzoyl chloride
The XLogP value of 3.2 indicates that 2,6-Dimethylbenzoyl 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, 2,6-Dimethylbenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylbenzoyl 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
What is the CAS number of 2,6-Dimethylbenzoyl chloride?
The CAS number of 2,6-Dimethylbenzoyl chloride is 21900-37-8.
What is the molecular formula of 2,6-Dimethylbenzoyl chloride?
The molecular formula of 2,6-Dimethylbenzoyl chloride is C9H9ClO.
What is the molecular weight of 2,6-Dimethylbenzoyl chloride?
The molecular weight of 2,6-Dimethylbenzoyl chloride is 168.0342 g/mol.
Where can I buy 2,6-Dimethylbenzoyl chloride?
You can request a quote for 2,6-Dimethylbenzoyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dimethylbenzoyl chloride?
Yes, CoreyChem provides custom synthesis services for 2,6-Dimethylbenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.