4-Methyl-3-(trifluoromethyl)bromobenzene
TL;DR: 4-Methyl-3-(trifluoromethyl)bromobenzene (CAS 66417-30-9) is a chemical compound with molecular formula C8H6BrF3 and molecular weight 237.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methyl-2-(trifluoromethyl)benzene
Also Known As: 5-Bromo-2-methylbenzotrifluoride, 4-bromo-1-methyl-2-(trifluoromethyl)benzene, 4-Methyl-3-(trifluoromethyl)bromobenzene, 4-Bromo-2-(trifluoromethyl)toluene, 3-bromo-6-methylbenzotrifluoride
| Molecular Formula | C8H6BrF3 |
|---|---|
| Molecular Weight | 237.96 g/mol |
| LogP | 3.77632 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.9605 |
| Heavy Atoms | 12 |
| Complexity | 290.84473 |
Chemical Identifiers
| CAS Number | 66417-30-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Br)C(F)(F)F |
Product Overview
4-Methyl-3-(trifluoromethyl)bromobenzene (CAS 66417-30-9), with molecular formula C8H6BrF3 and molecular weight 237.96 g/mol. IUPAC: 4-bromo-1-methyl-2-(trifluoromethyl)benzene.
Chemical Property Profile of 4-Methyl-3-(trifluoromethyl)bromobenzene
Property Insights of 4-Methyl-3-(trifluoromethyl)bromobenzene
The XLogP value of 3.77632 indicates that 4-Methyl-3-(trifluoromethyl)bromobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Methyl-3-(trifluoromethyl)bromobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-3-(trifluoromethyl)bromobenzene 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 4-Methyl-3-(trifluoromethyl)bromobenzene?
The CAS number of 4-Methyl-3-(trifluoromethyl)bromobenzene is 66417-30-9.
What is the molecular formula of 4-Methyl-3-(trifluoromethyl)bromobenzene?
The molecular formula of 4-Methyl-3-(trifluoromethyl)bromobenzene is C8H6BrF3.
What is the molecular weight of 4-Methyl-3-(trifluoromethyl)bromobenzene?
The molecular weight of 4-Methyl-3-(trifluoromethyl)bromobenzene is 237.96 g/mol.
Where can I buy 4-Methyl-3-(trifluoromethyl)bromobenzene?
You can request a quote for 4-Methyl-3-(trifluoromethyl)bromobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3-(trifluoromethyl)bromobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-(trifluoromethyl)bromobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.