4-Chloro-2-(trifluoromethyl)benzoyl chloride
TL;DR: 4-Chloro-2-(trifluoromethyl)benzoyl chloride (CAS 98187-13-4) is a chemical compound with molecular formula C8H3Cl2F3O and molecular weight 241.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(trifluoromethyl)benzoyl chloride
Also Known As: 4-Chloro-2-(trifluoromethyl)benzoyl chloride, 4-Chloro-2-trifluoromethylbenzoyl chloride, (2-Methoxyphenoxy)acetonitrile, 4-Chloro-2-(trifluoromethyl)benzoylchloride, 4-Chloro-2-trifluoromethylbenzoylchloride
| Molecular Formula | C8H3Cl2F3O |
|---|---|
| Molecular Weight | 241.95 g/mol |
| LogP | 3.7378 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.95131 |
| Heavy Atoms | 14 |
| Complexity | 373.33942 |
Chemical Identifiers
| CAS Number | 98187-13-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C(F)(F)F)C(=O)Cl |
Product Overview
4-Chloro-2-(trifluoromethyl)benzoyl chloride (CAS 98187-13-4), with molecular formula C8H3Cl2F3O and molecular weight 241.95 g/mol. IUPAC: 4-chloro-2-(trifluoromethyl)benzoyl chloride.
Chemical Property Profile of 4-Chloro-2-(trifluoromethyl)benzoyl chloride
Property Insights of 4-Chloro-2-(trifluoromethyl)benzoyl chloride
The XLogP value of 3.7378 indicates that 4-Chloro-2-(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, 4-Chloro-2-(trifluoromethyl)benzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(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 4-Chloro-2-(trifluoromethyl)benzoyl chloride?
The CAS number of 4-Chloro-2-(trifluoromethyl)benzoyl chloride is 98187-13-4.
What is the molecular formula of 4-Chloro-2-(trifluoromethyl)benzoyl chloride?
The molecular formula of 4-Chloro-2-(trifluoromethyl)benzoyl chloride is C8H3Cl2F3O.
What is the molecular weight of 4-Chloro-2-(trifluoromethyl)benzoyl chloride?
The molecular weight of 4-Chloro-2-(trifluoromethyl)benzoyl chloride is 241.95 g/mol.
Where can I buy 4-Chloro-2-(trifluoromethyl)benzoyl chloride?
You can request a quote for 4-Chloro-2-(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 4-Chloro-2-(trifluoromethyl)benzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(trifluoromethyl)benzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.