2-Methyl-3-(trifluoromethyl)benzoyl chloride
TL;DR: 2-Methyl-3-(trifluoromethyl)benzoyl chloride (CAS 261952-07-2) is a chemical compound with molecular formula C9H6ClF3O and molecular weight 222.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(trifluoromethyl)benzoyl chloride
Also Known As: 2-Methyl-3-(trifluoromethyl)benzoyl chloride, Benzoyl chloride, 2-methyl-3-(trifluoromethyl)-, 2-Methyl-3-trifluoromethylbenzoyl chloride, 3-trifluoromethyl-2-methylbenzoyl chloride, 2-Methyl-3-(trifluoromethyl)benzoylchloride
| Molecular Formula | C9H6ClF3O |
|---|---|
| Molecular Weight | 222.01 g/mol |
| LogP | 3.39282 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.00592 |
| Heavy Atoms | 14 |
| Complexity | 370.8101 |
Chemical Identifiers
| CAS Number | 261952-07-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1C(F)(F)F)C(=O)Cl |
Product Overview
2-Methyl-3-(trifluoromethyl)benzoyl chloride (CAS 261952-07-2), with molecular formula C9H6ClF3O and molecular weight 222.01 g/mol. IUPAC: 2-methyl-3-(trifluoromethyl)benzoyl chloride.
Chemical Property Profile of 2-Methyl-3-(trifluoromethyl)benzoyl chloride
Property Insights of 2-Methyl-3-(trifluoromethyl)benzoyl chloride
The XLogP value of 3.39282 indicates that 2-Methyl-3-(trifluoromethyl)benzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Methyl-3-(trifluoromethyl)benzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-(trifluoromethyl)benzoyl 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-Methyl-3-(trifluoromethyl)benzoyl chloride?
The CAS number of 2-Methyl-3-(trifluoromethyl)benzoyl chloride is 261952-07-2.
What is the molecular formula of 2-Methyl-3-(trifluoromethyl)benzoyl chloride?
The molecular formula of 2-Methyl-3-(trifluoromethyl)benzoyl chloride is C9H6ClF3O.
What is the molecular weight of 2-Methyl-3-(trifluoromethyl)benzoyl chloride?
The molecular weight of 2-Methyl-3-(trifluoromethyl)benzoyl chloride is 222.01 g/mol.
Where can I buy 2-Methyl-3-(trifluoromethyl)benzoyl chloride?
You can request a quote for 2-Methyl-3-(trifluoromethyl)benzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-(trifluoromethyl)benzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-(trifluoromethyl)benzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.