1-Chloro-2-iodo-4-(trifluoromethyl)benzene
TL;DR: 1-Chloro-2-iodo-4-(trifluoromethyl)benzene (CAS 672-57-1) is a chemical compound with molecular formula C7H3ClF3I and molecular weight 305.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-iodo-4-(trifluoromethyl)benzene
Also Known As: 4-Chloro-3-iodobenzotrifluoride, 1-Chloro-2-iodo-4-(trifluoromethyl)benzene, 4-Chloro-3-iodobenzo trifluoride, 4-chloro-3-iodotrifluorotoluene, 3-IODO-4-CHLOROBENZOTRIFLUORIDE
| Molecular Formula | C7H3ClF3I |
|---|---|
| Molecular Weight | 305.89 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 305.892 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 672-57-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)I)Cl |
| InChIKey | SSLWFPKNYZEOTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2-iodo-4-(trifluoromethyl)benzene (CAS 672-57-1), with molecular formula C7H3ClF3I and molecular weight 305.89 g/mol. IUPAC: 1-chloro-2-iodo-4-(trifluoromethyl)benzene.
Chemical Property Profile of 1-Chloro-2-iodo-4-(trifluoromethyl)benzene
Property Insights of 1-Chloro-2-iodo-4-(trifluoromethyl)benzene
The XLogP value of 4.1 indicates that 1-Chloro-2-iodo-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, 1-Chloro-2-iodo-4-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-iodo-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 1-Chloro-2-iodo-4-(trifluoromethyl)benzene?
The CAS number of 1-Chloro-2-iodo-4-(trifluoromethyl)benzene is 672-57-1.
What is the molecular formula of 1-Chloro-2-iodo-4-(trifluoromethyl)benzene?
The molecular formula of 1-Chloro-2-iodo-4-(trifluoromethyl)benzene is C7H3ClF3I.
What is the molecular weight of 1-Chloro-2-iodo-4-(trifluoromethyl)benzene?
The molecular weight of 1-Chloro-2-iodo-4-(trifluoromethyl)benzene is 305.89 g/mol.
Where can I buy 1-Chloro-2-iodo-4-(trifluoromethyl)benzene?
You can request a quote for 1-Chloro-2-iodo-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 1-Chloro-2-iodo-4-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-iodo-4-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.