1-Bromo-2-methoxy-4-(trifluoromethyl)benzene
TL;DR: 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene (CAS 159874-38-1) is a chemical compound with molecular formula C8H6BrF3O and molecular weight 253.95541 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-2-methoxy-4-(trifluoromethyl)benzene
Also Known As: 4-Bromo-3-methoxybenzotrifluoride, 1-bromo-2-methoxy-4-(trifluoromethyl)benzene, 2-BROMO-5-(TRIFLUOROMETHYL)ANISOLE, 2-Methoxy-4-trifluoromethylbromobenzene, 1-bromo-2-methoxy-4-trifluoromethyl-benzene
Technical Specifications
| Molecular Formula | C8H6BrF3O |
| Molecular Weight | 253.95541 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.95541 Da |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
| SMILES | COC1=C(C=CC(=C1)C(F)(F)F)Br |
| InChIKey | FQLLPTWRKUGXEN-UHFFFAOYSA-N |
Chemical Property Profile of 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene
Property Insights of 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene
The XLogP value of 3.5 indicates that 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene?
The CAS number of 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene is 159874-38-1.
What is the molecular formula of 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene?
The molecular formula of 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene is C8H6BrF3O.
What is the molecular weight of 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene?
The molecular weight of 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene is 253.95541 g/mol.
Where can I buy 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene?
You can request a quote for 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.