3,4-Dimethylbenzoyl chloride
TL;DR: 3,4-Dimethylbenzoyl chloride (CAS 21900-23-2) is a chemical compound with molecular formula C9H9ClO and molecular weight 168.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethylbenzoyl chloride
Also Known As: 3,4-dimethylbenzoyl chloride, 3,4-dimethylbenzene-1-carbonyl chloride, Benzoyl chloride,3,4-dimethyl-, 3,4-dimethyl-benzoyl chloride, 4-(Chloroformyl)-o-xylene
| Molecular Formula | C9H9ClO |
|---|---|
| Molecular Weight | 168.03 g/mol |
| LogP | 2.68244 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.0342 |
| Heavy Atoms | 11 |
| Complexity | 291.61426 |
Chemical Identifiers
| CAS Number | 21900-23-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)Cl)C |
Product Overview
3,4-Dimethylbenzoyl chloride (CAS 21900-23-2), with molecular formula C9H9ClO and molecular weight 168.03 g/mol. IUPAC: 3,4-dimethylbenzoyl chloride.
Chemical Property Profile of 3,4-Dimethylbenzoyl chloride
Property Insights of 3,4-Dimethylbenzoyl chloride
The XLogP value of 2.68244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethylbenzoyl chloride. With a topological polar surface area (TPSA) of 17.07 Ų, 3,4-Dimethylbenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-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
Frequently Asked Questions
What is the CAS number of 3,4-Dimethylbenzoyl chloride?
The CAS number of 3,4-Dimethylbenzoyl chloride is 21900-23-2.
What is the molecular formula of 3,4-Dimethylbenzoyl chloride?
The molecular formula of 3,4-Dimethylbenzoyl chloride is C9H9ClO.
What is the molecular weight of 3,4-Dimethylbenzoyl chloride?
The molecular weight of 3,4-Dimethylbenzoyl chloride is 168.03 g/mol.
Where can I buy 3,4-Dimethylbenzoyl chloride?
You can request a quote for 3,4-Dimethylbenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylbenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylbenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.