3-Methyl-5-(trifluoromethyl)benzyl bromide
TL;DR: 3-Methyl-5-(trifluoromethyl)benzyl bromide (CAS 116070-36-1) is a chemical compound with molecular formula C9H8BrF3 and molecular weight 251.97615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(bromomethyl)-3-methyl-5-(trifluoromethyl)benzene
Also Known As: 3-METHYL-5-(TRIFLUOROMETHYL)BENZYL BROMIDE, 1-(bromomethyl)-3-methyl-5-(trifluoromethyl)benzene, 5-methyl-3-nitrobenzyl bromide, Benzene, 1-(bromomethyl)-3-methyl-5-(trifluoromethyl)-, 3-Methyl-5-trifluoromethylbenzyl bromide
Technical Specifications
| Molecular Formula | C9H8BrF3 |
| Molecular Weight | 251.97615 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.97615 Da |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
| SMILES | CC1=CC(=CC(=C1)C(F)(F)F)CBr |
| InChIKey | GZJBZDJGNUXMNN-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-5-(trifluoromethyl)benzyl bromide
Property Insights of 3-Methyl-5-(trifluoromethyl)benzyl bromide
The XLogP value of 3.7 indicates that 3-Methyl-5-(trifluoromethyl)benzyl bromide 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-Methyl-5-(trifluoromethyl)benzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-(trifluoromethyl)benzyl bromide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methyl-5-(trifluoromethyl)benzyl bromide?
The CAS number of 3-Methyl-5-(trifluoromethyl)benzyl bromide is 116070-36-1.
What is the molecular formula of 3-Methyl-5-(trifluoromethyl)benzyl bromide?
The molecular formula of 3-Methyl-5-(trifluoromethyl)benzyl bromide is C9H8BrF3.
What is the molecular weight of 3-Methyl-5-(trifluoromethyl)benzyl bromide?
The molecular weight of 3-Methyl-5-(trifluoromethyl)benzyl bromide is 251.97615 g/mol.
Where can I buy 3-Methyl-5-(trifluoromethyl)benzyl bromide?
You can request a quote for 3-Methyl-5-(trifluoromethyl)benzyl bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-5-(trifluoromethyl)benzyl bromide?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-5-(trifluoromethyl)benzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.