641979

Ethyl 4-iodobenzoate

97%

• Empirical Formula (Hill Notation): C₉H₉IO₂
• CAS Number: 51934-41-9
• Molecular Weight: 276.07
• MDL number: MFCD00017344
• UNSPSC Code: 12352100
• PubChem Substance ID: 24883160
• NACRES: NA.22

Properties

• assay: 97%
• refractive index: n20/D 1.5880 (lit.)
• density: 1.641 g/mL at 25 °C (lit.)
• functional group: ester; iodo
• SMILES string: CCOC(=O)c1ccc(I)cc1
• InChI: 1S/C9H9IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
• InChI key: YCBJOQUNPLTBGG-UHFFFAOYSA-N

Description

Application

Ethyl 4-iodobenzoate can be used in the synthesis of biphenyl derivatives via Negishi cross coupling with the intermediates of the type ArMg(tmp)·2LiCl (tmp = trimethylolpropane). It can also be used as a starting material in the synthesis of p-carbomethoxyphenylmagnesium bromide, a polyfunctional organometallic reagent that can be used as building block in the synthesis of complex target molecules.

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: >230.0 °F - closed cup
• flash_point_c: > 110 °C - closed cup
• ppe: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)