Benzene, 1-bromo-3-(trifluoromethyl)-
TL;DR: Benzene, 1-bromo-3-(trifluoromethyl)- (CAS 401-78-5) is a chemical compound with molecular formula C7H4BrF3 and molecular weight 223.94485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-3-(trifluoromethyl)benzene
Also Known As: 3-Bromobenzotrifluoride, 1-Bromo-3-(trifluoromethyl)benzene, m-Bromobenzotrifluoride, 3-Brombenzotrifluorid, 3-Bromobenzyltrifluoride
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4BrF3 |
| Molecular Weight | 223.94485 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.94485 Da |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
| SMILES | C1=CC(=CC(=C1)Br)C(F)(F)F |
| InChIKey | NNMBNYHMJRJUBC-UHFFFAOYSA-N |
Product Description
Applications: Benzene, 1-bromo-3-(trifluoromethyl)- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzene, 1-bromo-3-(trifluoromethyl)- (CAS 401-78-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Benzene, 1-bromo-3-(trifluoromethyl)- (CAS 401-78-5) has the molecular formula C7H4BrF3 and a molecular weight of 223.94 g/mol. It is also known as 3-Bromobenzotrifluoride and 1-Bromo-3-(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 Benzene, 1-bromo-3-(trifluoromethyl)-
Property Insights of Benzene, 1-bromo-3-(trifluoromethyl)-
The XLogP value of 4.0 indicates that Benzene, 1-bromo-3-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-bromo-3-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-bromo-3-(trifluoromethyl)- 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 Benzene, 1-bromo-3-(trifluoromethyl)-?
The CAS number of Benzene, 1-bromo-3-(trifluoromethyl)- is 401-78-5.
What is the molecular formula of Benzene, 1-bromo-3-(trifluoromethyl)-?
The molecular formula of Benzene, 1-bromo-3-(trifluoromethyl)- is C7H4BrF3.
What is the molecular weight of Benzene, 1-bromo-3-(trifluoromethyl)-?
The molecular weight of Benzene, 1-bromo-3-(trifluoromethyl)- is 223.94485 g/mol.
What are the applications of Benzene, 1-bromo-3-(trifluoromethyl)-?
Benzene, 1-bromo-3-(trifluoromethyl)- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzene,...
Where can I buy Benzene, 1-bromo-3-(trifluoromethyl)-?
You can request a quote for Benzene, 1-bromo-3-(trifluoromethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, 1-bromo-3-(trifluoromethyl)-?
Yes, CoreyChem provides custom synthesis services for Benzene, 1-bromo-3-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.