4-Bromo-3,5-dichlorobenzotrifluoride
TL;DR: 4-Bromo-3,5-dichlorobenzotrifluoride (CAS 118754-53-3) is a chemical compound with molecular formula C7H2BrCl2F3 and molecular weight 291.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,3-dichloro-5-(trifluoromethyl)benzene
Also Known As: 4-Bromo-3,5-dichlorobenzotrifluoride, 2-bromo-1,3-dichloro-5-(trifluoromethyl)benzene, 2-bromo-1,3-dichloro-5-trifluoromethyl-benzene, Benzene, 2-bromo-1,3-dichloro-5-(trifluoromethyl)-, 2,6-dichloro-4-trifluoromethylbromobenzene
| Molecular Formula | C7H2BrCl2F3 |
|---|---|
| Molecular Weight | 291.87 g/mol |
| LogP | 4.7747 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 291.8669 |
| Heavy Atoms | 13 |
| Complexity | 311.99493 |
Chemical Identifiers
| CAS Number | 118754-53-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)Br)Cl)C(F)(F)F |
Product Overview
4-Bromo-3,5-dichlorobenzotrifluoride (CAS 118754-53-3), with molecular formula C7H2BrCl2F3 and molecular weight 291.87 g/mol. IUPAC: 2-bromo-1,3-dichloro-5-(trifluoromethyl)benzene.
Chemical Property Profile of 4-Bromo-3,5-dichlorobenzotrifluoride
Property Insights of 4-Bromo-3,5-dichlorobenzotrifluoride
The XLogP value of 4.7747 indicates that 4-Bromo-3,5-dichlorobenzotrifluoride 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-3,5-dichlorobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3,5-dichlorobenzotrifluoride has 0 hydrogen bond donor(s) and 0 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 4-Bromo-3,5-dichlorobenzotrifluoride?
The CAS number of 4-Bromo-3,5-dichlorobenzotrifluoride is 118754-53-3.
What is the molecular formula of 4-Bromo-3,5-dichlorobenzotrifluoride?
The molecular formula of 4-Bromo-3,5-dichlorobenzotrifluoride is C7H2BrCl2F3.
What is the molecular weight of 4-Bromo-3,5-dichlorobenzotrifluoride?
The molecular weight of 4-Bromo-3,5-dichlorobenzotrifluoride is 291.87 g/mol.
Where can I buy 4-Bromo-3,5-dichlorobenzotrifluoride?
You can request a quote for 4-Bromo-3,5-dichlorobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3,5-dichlorobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3,5-dichlorobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.