4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene
TL;DR: 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene (CAS 445-01-2) 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.
4-bromo-1-chloro-2-(trifluoromethyl)benzene
Also Known As: 5-Bromo-2-chlorobenzotrifluoride, 4-Bromo-1-chloro-2-(trifluoromethyl)benzene, gr de bxfff, 2-chloro-5-bromobenzotrifluoride, 5-Bromo-2-chloro-benzenetrifluoride
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H3BrClF3 |
| Molecular Weight | 257.90588 g/mol |
| XLogP | 4.8 |
| 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=C1Br)C(F)(F)F)Cl |
| InChIKey | XGOCKBMEZPNDPJ-UHFFFAOYSA-N |
Product Description
Applications: 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene (CAS 445-01-2) has the molecular formula C7H3BrClF3 and a molecular weight of 257.91 g/mol. Synonyms include 5-Bromo-2-chlorobenzotrifluoride and 4-Bromo-1-chloro-2-(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 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene
Property Insights of 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene
The XLogP value of 4.8 indicates that 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene 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 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene?
The CAS number of 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene is 445-01-2.
What is the molecular formula of 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene?
The molecular formula of 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene is C7H3BrClF3.
What is the molecular weight of 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene?
The molecular weight of 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene is 257.90588 g/mol.
What are the applications of 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene?
4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene 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. Available from...
Where can I buy 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene?
You can request a quote for 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.