Benzoic acid, 4-fluoro-3-iodo-, ethyl ester
TL;DR: Benzoic acid, 4-fluoro-3-iodo-, ethyl ester (CAS 618-93-9) is a chemical compound with molecular formula C9H8FIO2 and molecular weight 293.95532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-fluoro-3-iodobenzoate
Also Known As: ethyl 4-fluoro-3-iodobenzoate, Ethyl 3-iodo-4-fluorobenzoate, 4-FLUORO-3-IODOBENZOIC ACID ETHYL ESTER, BENZOIC ACID, 4-FLUORO-3-IODO-, ETHYL ESTER, 4-Fluoro-3-iodobenzoicacidethylester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8FIO2 |
| Molecular Weight | 293.95532 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.95532 Da |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
| SMILES | CCOC(=O)C1=CC(=C(C=C1)F)I |
| InChIKey | QEUVGNOTLWOYDH-UHFFFAOYSA-N |
Product Description
Applications: Benzoic acid, 4-fluoro-3-iodo-, ethyl ester is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
Benzoic acid, 4-fluoro-3-iodo-, ethyl ester (CAS 618-93-9) is a pharmaceutical intermediate with the molecular formula C9H8FIO2 and a molecular weight of 293.96 g/mol. Synonyms include ethyl 4-fluoro-3-iodobenzoate and Ethyl 3-iodo-4-fluorobenzoate.
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 Benzoic acid, 4-fluoro-3-iodo-, ethyl ester
Property Insights of Benzoic acid, 4-fluoro-3-iodo-, ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-fluoro-3-iodo-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 4-fluoro-3-iodo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-fluoro-3-iodo-, ethyl ester 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 Benzoic acid, 4-fluoro-3-iodo-, ethyl ester?
The CAS number of Benzoic acid, 4-fluoro-3-iodo-, ethyl ester is 618-93-9.
What is the molecular formula of Benzoic acid, 4-fluoro-3-iodo-, ethyl ester?
The molecular formula of Benzoic acid, 4-fluoro-3-iodo-, ethyl ester is C9H8FIO2.
What is the molecular weight of Benzoic acid, 4-fluoro-3-iodo-, ethyl ester?
The molecular weight of Benzoic acid, 4-fluoro-3-iodo-, ethyl ester is 293.95532 g/mol.
What are the applications of Benzoic acid, 4-fluoro-3-iodo-, ethyl ester?
Benzoic acid, 4-fluoro-3-iodo-, ethyl ester is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy Benzoic acid, 4-fluoro-3-iodo-, ethyl ester?
You can request a quote for Benzoic acid, 4-fluoro-3-iodo-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-fluoro-3-iodo-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-fluoro-3-iodo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.