2-Bromo-1-chloro-4-(trifluoromethyl)benzene
TL;DR: 2-Bromo-1-chloro-4-(trifluoromethyl)benzene (CAS 454-78-4) is a chemical compound with molecular formula C7H3BrClF3 and molecular weight 257.90588 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-1-chloro-4-(trifluoromethyl)benzene
Also Known As: 3-Bromo-4-chlorobenzotrifluoride, 2-Bromo-1-chloro-4-(trifluoromethyl)benzene, APSISOSWYXCEQX-UHFFFAOYSA-, Benzene, 2-bromo-1-chloro-4-(trifluoromethyl)-, 3-Bromo-4-chloro-alpha,alpha,alpha-trifluorotoluene
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H3BrClF3 |
| Molecular Weight | 257.90588 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.90588 Da |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Br)Cl |
| InChIKey | APSISOSWYXCEQX-UHFFFAOYSA-N |
Product Description
Applications: 2-Bromo-1-chloro-4-(trifluoromethyl)benzene is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Bromo-1-chloro-4-(trifluoromethyl)benzene (CAS 454-78-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Bromo-1-chloro-4-(trifluoromethyl)benzene (CAS 454-78-4) is a organic building block with the molecular formula C7H3BrClF3 and a molecular weight of 257.91 g/mol. It is also known as 3-Bromo-4-chlorobenzotrifluoride and 2-Bromo-1-chloro-4-(trifluoromethyl)benzene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Bromo-1-chloro-4-(trifluoromethyl)benzene
Property Insights of 2-Bromo-1-chloro-4-(trifluoromethyl)benzene
The XLogP value of 4.4 indicates that 2-Bromo-1-chloro-4-(trifluoromethyl)benzene 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-Bromo-1-chloro-4-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-chloro-4-(trifluoromethyl)benzene 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 2-Bromo-1-chloro-4-(trifluoromethyl)benzene?
The CAS number of 2-Bromo-1-chloro-4-(trifluoromethyl)benzene is 454-78-4.
What is the molecular formula of 2-Bromo-1-chloro-4-(trifluoromethyl)benzene?
The molecular formula of 2-Bromo-1-chloro-4-(trifluoromethyl)benzene is C7H3BrClF3.
What is the molecular weight of 2-Bromo-1-chloro-4-(trifluoromethyl)benzene?
The molecular weight of 2-Bromo-1-chloro-4-(trifluoromethyl)benzene is 257.90588 g/mol.
What are the applications of 2-Bromo-1-chloro-4-(trifluoromethyl)benzene?
2-Bromo-1-chloro-4-(trifluoromethyl)benzene is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 2-Bromo-1-chloro-4-(trifluoromethyl)benzene?
You can request a quote for 2-Bromo-1-chloro-4-(trifluoromethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-1-chloro-4-(trifluoromethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-1-chloro-4-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.