411205

4-tert-Butyliodobenzene

98%

• Synonym(s): 1-tert-Butyl-4-iodobenzene
• Linear Formula: (CH₃)₃CC₆H₄I
• CAS Number: 35779-04-5
• Molecular Weight: 260.11
• MDL number: MFCD00052339
• UNSPSC Code: 12352100
• PubChem Substance ID: 24865734
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• form: liquid
• refractive index: n20/D 1.57 (lit.)
• bp: 116-118 °C/9 mmHg (lit.)
• density: 1.468 g/mL at 25 °C (lit.)
• functional group: iodo
• SMILES string: CC(C)(C)c1ccc(I)cc1
• InChI: 1S/C10H13I/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
• InChI key: WQVIVQDHNKQWTM-UHFFFAOYSA-N

Description

General description

4-tert-Butyliodobenzene is an electron-rich aryl iodide. Heck reaction between 2-methylprop-2-en-1-ol and 4-tert-butyliodobenzene catalyzed by ionic liquids has been studied. It participates in the one-pot Heck-reductive amination reaction pathway during the synthesis of fungicide fenpropimorph.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H319
• pcodes: P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter