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
• Hazard Statements: H411
• Precautionary Statements: P273 - P391 - P501
• Hazard Classifications: Aquatic Chronic 2
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 158.0 °F - closed cup
• Flash Point(C): 70 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves