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3-Bromo-5-iodobenzoic acid, 97%
CAS: 188815-32-9 | C7H4BrIO2 | 326.915 g/mol
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Catalog number A17076.14
also known as A17076-14
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Quantity:
25 g
Chemical Identifiers
CAS188815-32-9
IUPAC Name3-bromo-5-iodobenzoate
Molecular FormulaC7H3BrIO2
InChI KeyMKJBJYCBKXPQSY-UHFFFAOYSA-M
SMILES[O-]C(=O)C1=CC(Br)=CC(I)=C1
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Specifications
Specification Sheet
Specification SheetAppearance (Color)Pale cream to cream to pale brown or pale yellow to pale orange
FormCrystals or powder or crystalline powder
Assay (Aqueous acid-base Titration)≥96.0 to ≤104.0%
Assay (HPLC)≥96.0%
Melting Point (clear melt)215.0-225.0?C
3-Bromo-5-iodobenzoic acid may be used in the preparation of the following:
- Phenyl(3-bromo-5-iodo)benzoate.
- As starting reagent for the large-scale synthesis of the thromboxane receptor antagonist 3-{3-[2-(4-chlorobenzenesulfonamido)ethyl]-5-(4-fluorobenzyl)phenyl}propionic acid, via regioselective Heck cross-coupling reaction.
- Methyl 3-bromo-5-iodobenzoate.
- 3-Bromo-5-(triisopropylsilylethynyl)benzoic acid, via Sonogashira coupling reaction.
- Trifluoroacetophenone.
This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.
Applications
3-Bromo-5-iodobenzoic acid may be used in the preparation of the following: • Phenyl(3-bromo-5-iodo)benzoate. • As starting reagent for the large-scale synthesis of the thromboxane receptor antagonist 3-{3-[2-(4-chlorobenzenesulfonamido)ethyl]-5-(4-fluorobenzyl)phenyl}propionic acid, via regioselective Heck cross-coupling reaction. • Methyl 3-bromo-5-iodobenzoate. • 3-Bromo-5-(triisopropylsilylethynyl)benzoic acid, via Sonogashira coupling reaction. • Trifluoroacetophenone.
Solubility
Soluble in methanol. Sparingly Soluble (0.20 g/L) (25°C), Calc.
Notes
Light Sensitive. Protect from light. Store away from oxidizing agents.
3-Bromo-5-iodobenzoic acid may be used in the preparation of the following: • Phenyl(3-bromo-5-iodo)benzoate. • As starting reagent for the large-scale synthesis of the thromboxane receptor antagonist 3-{3-[2-(4-chlorobenzenesulfonamido)ethyl]-5-(4-fluorobenzyl)phenyl}propionic acid, via regioselective Heck cross-coupling reaction. • Methyl 3-bromo-5-iodobenzoate. • 3-Bromo-5-(triisopropylsilylethynyl)benzoic acid, via Sonogashira coupling reaction. • Trifluoroacetophenone.
Solubility
Soluble in methanol. Sparingly Soluble (0.20 g/L) (25°C), Calc.
Notes
Light Sensitive. Protect from light. Store away from oxidizing agents.
RUO – Research Use Only
General References:
- Waite DC and Mason CP. A scalable synthesis of the thromboxane receptor antagonist 3-{3-[2-(4-chlorobenzenesulfonamido) ethyl]-5-(4-fluorobenzyl) phenyl} propionic acid via a regioselective Heck cross-coupling strategy.Org. Process Res. Dev.1998,2(2), 116-20.
- S Lindman.; G Lindeberg.; F Nyberg.; A Karlén.; A Hallberg. Comparison of three gamma-turn mimetic scaffolds incorporated into angiotensin II.Bioorg Med Chem.2000,8,(9), 2375-2383.