528994

Ethyl 3-iodobenzoate

98%

• Linear Formula: IC₆H₄CO₂C₂H₅
• CAS Number: 58313-23-8
• Molecular Weight: 276.07
• NACRES: NA.22
• PubChem Substance ID: 24877634
• UNSPSC Code: 12352100
• MDL number: MFCD00044769
• Assay: 98%

Properties

• Quality Segment: 100
• assay: 98%
• refractive index: n20/D 1.581 (lit.)
• bp: 272 °C (lit.)
• density: 1.64 g/mL at 25 °C (lit.)
• functional group: ester, iodo
• SMILES string: CCOC(=O)c1cccc(I)c1
• InChI: 1S/C9H9IO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
• InChI key: POGCXCWRMMXDAQ-UHFFFAOYSA-N

Description

General description

Ethyl 3-iodobenzoate is a halogenated aromatic ester. It affords arylzinc bromide via reaction with i-PrMgBr in THF, followed by reaction with ZnBr₂.

Application

Ethyl 3-iodobenzoate may be used to synthesize:

• arylzinc bromide
• functionalized arylmagnesium compound
• ethyl3-phenylbenzoate
• ethyl 3-[(12-tert-butyldimethylsilyloxymethyl-1,12-dicarba-closo-dodecaboran)-1-yl]benzoate
• ethyl 3-(4-methoxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)benzoate
• ethyl 3-(1-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)benzoate

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: 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: 10 - Combustible liquids
• wgk: WGK 3
• flash_point_f: 230.0 °F - closed cup
• flash_point_c: 110 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter