408085

3-Bromo-5-iodobenzoic acid

97%

• Linear Formula: BrC₆H₃(I)CO₂H
• CAS Number: 188815-32-9
• Molecular Weight: 326.91
• MDL number: MFCD00191851
• UNSPSC Code: 12352100
• PubChem Substance ID: 24865503
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• form: solid
• mp: 219-221 °C (lit.)
• functional group: bromo; carboxylic acid; iodo
• SMILES string: OC(=O)c1cc(Br)cc(I)c1
• InChI: 1S/C7H4BrIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
• InChI key: MKJBJYCBKXPQSY-UHFFFAOYSA-N

Description

General description

3-Bromo-5-iodobenzoic acid (BrIBA) is a halogen substituted carboxylic acid.

Application

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.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves