2-Chloro-4-methylbenzotrifluoride
TL;DR: 2-Chloro-4-methylbenzotrifluoride (CAS 74483-46-8) is a chemical compound with molecular formula C8H6ClF3 and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-methyl-1-(trifluoromethyl)benzene
Also Known As: 2-Chloro-4-methylbenzotrifluoride, 2-chloro-4-methyl-1-(trifluoromethyl)benzene, 3-Chloro-4-(trifluoromethyl)toluene, 2-Chloro-5-methylbenzotrifluoride, 2-Chloro-4-methyl-1-trifluoromethyl-benzene
| Molecular Formula | C8H6ClF3 |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 3.66722 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.01102 |
| Heavy Atoms | 12 |
| Complexity | 290.84473 |
Chemical Identifiers
| CAS Number | 74483-46-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(F)(F)F)Cl |
Product Overview
2-Chloro-4-methylbenzotrifluoride (CAS 74483-46-8), with molecular formula C8H6ClF3 and molecular weight 194.01 g/mol. IUPAC: 2-chloro-4-methyl-1-(trifluoromethyl)benzene.
Chemical Property Profile of 2-Chloro-4-methylbenzotrifluoride
Property Insights of 2-Chloro-4-methylbenzotrifluoride
The XLogP value of 3.66722 indicates that 2-Chloro-4-methylbenzotrifluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Chloro-4-methylbenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-methylbenzotrifluoride 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 2-Chloro-4-methylbenzotrifluoride?
The CAS number of 2-Chloro-4-methylbenzotrifluoride is 74483-46-8.
What is the molecular formula of 2-Chloro-4-methylbenzotrifluoride?
The molecular formula of 2-Chloro-4-methylbenzotrifluoride is C8H6ClF3.
What is the molecular weight of 2-Chloro-4-methylbenzotrifluoride?
The molecular weight of 2-Chloro-4-methylbenzotrifluoride is 194.01 g/mol.
Where can I buy 2-Chloro-4-methylbenzotrifluoride?
You can request a quote for 2-Chloro-4-methylbenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-methylbenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-methylbenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.