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 257.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C7H3BrClF3 |
|---|---|
| Molecular Weight | 257.91 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.90588 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 454-78-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Br)Cl |
| InChIKey | APSISOSWYXCEQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1-chloro-4-(trifluoromethyl)benzene (CAS 454-78-4), with molecular formula C7H3BrClF3 and molecular weight 257.91 g/mol. IUPAC: 2-bromo-1-chloro-4-(trifluoromethyl)benzene.
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
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 257.91 g/mol.
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-chloro-4-(trifluoromethyl)benzene?
Yes, KEHONG BIO 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.