Bis(trifluoroacetoxy)iodobenzene
TL;DR: Bis(trifluoroacetoxy)iodobenzene (CAS 2712-78-9) is a chemical compound with molecular formula C10H5F6IO4 and molecular weight 429.91367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl] 2,2,2-trifluoroacetate
Also Known As: [Bis(trifluoroacetoxy)iodo]benzene|(Bis(trifluoroacetoxy)iodo)benzene|PIFA|TAIB cpd|BIITFAIB|BTIZ|zlchem 275|BIS(TRIFLUOROACETOXY)IODOBENZENE|PhI(OCOCF3)2|Bis(I,I-trifluoroacetoxy)iodobenzene|ACMC-1CS2X|iodobenzene bis(trifluoroacetate)|Phenylbis(trifluoroacetato-O)iodine|labotest-bb lt00454809|bis-trifluoroacetoxyiodobenzene|phenyliodine bis(trifluoroacetate)|Jsp005280|bis(trifluoroacetoxy)iodo-benzene|Iodine, phenylbis(trifluoroacetato-O)-|I,I-bis(trifluoroacetoxy)iodobenzene|phenyliodine(III) bis(trifluoroacetate)|Bis(trifluoroacetoxy)phenyl iodine|Iodobenzene I,I-bis(trifluoroacetate)|[bis(trifluoroacetoxyl)iodo]benzene|[bis(trifluoro-acetoxy)iodo]benzene|[bis(trifluoroacetoxy) iodo]benzene|[bis(trifluoroacetoxy)-iodo]benzene|[bis(trifluoroacetoxy)iodo] benzene|2-Chloro-N-pyridin-2-yl-acetamide|bis-[(trifluoroacetoxy)iodo]benzene|phenyliodonium bis(trifluoroacetate)|[bis(trifluoroacetoxyl)-iodo]benzene|I,I-bis(trifluoroacetate)iodobenzene|iodine, phenylbis(trifluoroacetato)-
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H5F6IO4 |
| Molecular Weight | 429.91367 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.91367 Da |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
| SMILES | C1=CC=C(C=C1)I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F |
| InChIKey | PEZNEXFPRSOYPL-UHFFFAOYSA-N |
Product Description
Applications: Bis(trifluoroacetoxy)iodobenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Bis(trifluoroacetoxy)iodobenzene (CAS 2712-78-9) has the molecular formula C10H5F6IO4 and a molecular weight of 429.91 g/mol. Synonyms include [Bis(trifluoroacetoxy)iodo]benzene and (Bis(trifluoroacetoxy)iodo)benzene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Bis(trifluoroacetoxy)iodobenzene
Property Insights of Bis(trifluoroacetoxy)iodobenzene
The XLogP value of 5.0 indicates that Bis(trifluoroacetoxy)iodobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(trifluoroacetoxy)iodobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(trifluoroacetoxy)iodobenzene has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bis(trifluoroacetoxy)iodobenzene?
The CAS number of Bis(trifluoroacetoxy)iodobenzene is 2712-78-9.
What is the molecular formula of Bis(trifluoroacetoxy)iodobenzene?
The molecular formula of Bis(trifluoroacetoxy)iodobenzene is C10H5F6IO4.
What is the molecular weight of Bis(trifluoroacetoxy)iodobenzene?
The molecular weight of Bis(trifluoroacetoxy)iodobenzene is 429.91367 g/mol.
What are the applications of Bis(trifluoroacetoxy)iodobenzene?
Bis(trifluoroacetoxy)iodobenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy Bis(trifluoroacetoxy)iodobenzene?
You can request a quote for Bis(trifluoroacetoxy)iodobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(trifluoroacetoxy)iodobenzene?
Yes, CoreyChem provides custom synthesis services for Bis(trifluoroacetoxy)iodobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.