Benzene, 1-bromo-4-(trifluoromethyl)-
TL;DR: Benzene, 1-bromo-4-(trifluoromethyl)- (CAS 402-43-7) is a chemical compound with molecular formula C7H4BrF3 and molecular weight 223.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-(trifluoromethyl)benzene
Also Known As: 4-Bromobenzotrifluoride, 1-Bromo-4-(trifluoromethyl)benzene, p-Bromobenzotrifluoride, fxffr de, Benzene, 1-bromo-4-(trifluoromethyl)-
| Molecular Formula | C7H4BrF3 |
|---|---|
| Molecular Weight | 223.94 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.94485 |
| Heavy Atoms | 11 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 402-43-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)Br |
| InChIKey | XLQSXGGDTHANLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-bromo-4-(trifluoromethyl)- (CAS 402-43-7), with molecular formula C7H4BrF3 and molecular weight 223.94 g/mol. IUPAC: 1-bromo-4-(trifluoromethyl)benzene.
Chemical Property Profile of Benzene, 1-bromo-4-(trifluoromethyl)-
Property Insights of Benzene, 1-bromo-4-(trifluoromethyl)-
The XLogP value of 3.9 indicates that Benzene, 1-bromo-4-(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-4-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-bromo-4-(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
Frequently Asked Questions
What is the CAS number of Benzene, 1-bromo-4-(trifluoromethyl)-?
The CAS number of Benzene, 1-bromo-4-(trifluoromethyl)- is 402-43-7.
What is the molecular formula of Benzene, 1-bromo-4-(trifluoromethyl)-?
The molecular formula of Benzene, 1-bromo-4-(trifluoromethyl)- is C7H4BrF3.
What is the molecular weight of Benzene, 1-bromo-4-(trifluoromethyl)-?
The molecular weight of Benzene, 1-bromo-4-(trifluoromethyl)- is 223.94 g/mol.
Where can I buy Benzene, 1-bromo-4-(trifluoromethyl)-?
You can request a quote for Benzene, 1-bromo-4-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-bromo-4-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-bromo-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.