206563

3-Iodobenzotrifluoride

98%

• Synonym(s): 3-Iodo-α,α,α-trifluorotoluene
• Linear Formula: IC₆H₄CF₃
• CAS Number: 401-81-0
• Molecular Weight: 272.01
• EC Number: 206-934-7
• MDL number: MFCD00001049
• UNSPSC Code: 12352100
• PubChem Substance ID: 24852409
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• refractive index: n20/D 1.517 (lit.)
• bp: 82-82.5 °C/25 mmHg (lit.)
• density: 1.887 g/mL at 25 °C (lit.)
• functional group: fluoro; iodo
• SMILES string: FC(F)(F)c1cccc(I)c1
• InChI: 1S/C7H4F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H
• InChI key: IGISPMBUGPHLBY-UHFFFAOYSA-N

Description

General description

Sonogashira coupling reaction between 3-iodobenzotrifluoride and phenylacetylene using a palladium system has been reported.

Application

3-Iodobenzotrifluoride was used in the preparation of zinc 5,10,15,20-tetrakis(3-(trifluoromethyl)phenylethynyl)porphyrin.

Safety Information

• pictograms: GHS09
• hcodes: H411
• pcodes: P273 - P391 - P501
• Hazard Classifications: Aquatic Chronic 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 158.0 °F - closed cup
• flash_point_c: 70 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter