3-(Trifluoromethyl)benzal chloride
TL;DR: 3-(Trifluoromethyl)benzal chloride (CAS 85301-66-2) is a chemical compound with molecular formula C8H5Cl2F3 and molecular weight 227.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dichloromethyl)-3-(trifluoromethyl)benzene
Also Known As: 3-(Trifluoromethyl)benzal chloride, MTF-BAC, 1-(dichloromethyl)-3-(trifluoromethyl)benzene, 3- BENZALCHLORIDE, 3-(Dichloromethyl)benzotrifluoride
| Molecular Formula | C8H5Cl2F3 |
|---|---|
| Molecular Weight | 227.97 g/mol |
| LogP | 4.1816 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.97205 |
| Heavy Atoms | 13 |
| Complexity | 293.68576 |
Chemical Identifiers
| CAS Number | 85301-66-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(Cl)Cl |
Product Overview
3-(Trifluoromethyl)benzal chloride (CAS 85301-66-2), with molecular formula C8H5Cl2F3 and molecular weight 227.97 g/mol. IUPAC: 1-(dichloromethyl)-3-(trifluoromethyl)benzene.
Chemical Property Profile of 3-(Trifluoromethyl)benzal chloride
Property Insights of 3-(Trifluoromethyl)benzal chloride
The XLogP value of 4.1816 indicates that 3-(Trifluoromethyl)benzal chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-(Trifluoromethyl)benzal chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)benzal chloride has 0 hydrogen bond donor(s) and 0 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-(Trifluoromethyl)benzal chloride?
The CAS number of 3-(Trifluoromethyl)benzal chloride is 85301-66-2.
What is the molecular formula of 3-(Trifluoromethyl)benzal chloride?
The molecular formula of 3-(Trifluoromethyl)benzal chloride is C8H5Cl2F3.
What is the molecular weight of 3-(Trifluoromethyl)benzal chloride?
The molecular weight of 3-(Trifluoromethyl)benzal chloride is 227.97 g/mol.
Where can I buy 3-(Trifluoromethyl)benzal chloride?
You can request a quote for 3-(Trifluoromethyl)benzal chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)benzal chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)benzal chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.