3-Chloro-4-iodobenzotrifluoride
TL;DR: 3-Chloro-4-iodobenzotrifluoride (CAS 141738-80-9) is a chemical compound with molecular formula C7H3ClF3I and molecular weight 305.892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1-iodo-4-(trifluoromethyl)benzene
Also Known As: 3-Chloro-4-iodobenzotrifluoride, 2-chloro-1-iodo-4-(trifluoromethyl)benzene, buttpark 9857-21, Benzene, 2-chloro-1-iodo-4-(trifluoromethyl)-, 3-fluoro-4-iodobenzotrifluoride
Technical Specifications
| Molecular Formula | C7H3ClF3I |
| Molecular Weight | 305.892 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 305.892 Da |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)I |
| InChIKey | ULJRBVGSKAKZKQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-4-iodobenzotrifluoride
Property Insights of 3-Chloro-4-iodobenzotrifluoride
The XLogP value of 4.1 indicates that 3-Chloro-4-iodobenzotrifluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chloro-4-iodobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-iodobenzotrifluoride 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 3-Chloro-4-iodobenzotrifluoride?
The CAS number of 3-Chloro-4-iodobenzotrifluoride is 141738-80-9.
What is the molecular formula of 3-Chloro-4-iodobenzotrifluoride?
The molecular formula of 3-Chloro-4-iodobenzotrifluoride is C7H3ClF3I.
What is the molecular weight of 3-Chloro-4-iodobenzotrifluoride?
The molecular weight of 3-Chloro-4-iodobenzotrifluoride is 305.892 g/mol.
Where can I buy 3-Chloro-4-iodobenzotrifluoride?
You can request a quote for 3-Chloro-4-iodobenzotrifluoride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-4-iodobenzotrifluoride?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-4-iodobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.