2-Bromo-4-(trifluoromethyl)benzonitrile
TL;DR: 2-Bromo-4-(trifluoromethyl)benzonitrile (CAS 1208076-28-1) is a chemical compound with molecular formula C8H3BrF3N and molecular weight 248.9401 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-4-(trifluoromethyl)benzonitrile
Also Known As: 2-Bromo-4-(trifluoromethyl)benzonitrile, EINECS 252-715-4, 3-Bromo-4-cyanobenzotrifluoride, 2-Bromo-4-(trifluoromethyl)benzonitile, Benzonitrile,2-bromo-4-(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C8H3BrF3N |
| Molecular Weight | 248.9401 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.9401 Da |
| Heavy Atoms | 13 |
| Complexity | 229.0 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Br)C#N |
| InChIKey | YQDJZASWOJHHGY-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-4-(trifluoromethyl)benzonitrile
Property Insights of 2-Bromo-4-(trifluoromethyl)benzonitrile
The XLogP value of 3.2 indicates that 2-Bromo-4-(trifluoromethyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Bromo-4-(trifluoromethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-(trifluoromethyl)benzonitrile 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 2-Bromo-4-(trifluoromethyl)benzonitrile?
The CAS number of 2-Bromo-4-(trifluoromethyl)benzonitrile is 1208076-28-1.
What is the molecular formula of 2-Bromo-4-(trifluoromethyl)benzonitrile?
The molecular formula of 2-Bromo-4-(trifluoromethyl)benzonitrile is C8H3BrF3N.
What is the molecular weight of 2-Bromo-4-(trifluoromethyl)benzonitrile?
The molecular weight of 2-Bromo-4-(trifluoromethyl)benzonitrile is 248.9401 g/mol.
Where can I buy 2-Bromo-4-(trifluoromethyl)benzonitrile?
You can request a quote for 2-Bromo-4-(trifluoromethyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-4-(trifluoromethyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-4-(trifluoromethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.