365858

4-Iodobenzotrifluoride

97%

• Synonyma: 4-Iodo-α,α,α-trifluorotoluene
• Lineární vzorec: IC₆H₄CF₃
• Číslo CAS: 455-13-0
• Molekulová hmotnost: 272.01
• EC Number: 207-234-4
• MDL number: MFCD00039398
• UNSPSC Code: 12352100
• PubChem Substance ID: 24862587
• NACRES: NA.22

Vlastnosti

• Quality Level: 100
• assay: 97%
• form: liquid
• refractive index: n20/D 1.516 (lit.)
• bp: 185-186 °C/745 mmHg (lit.)
• mp: −8.33 °C (lit.)
• density: 1.851 g/mL at 25 °C (lit.)
• functional group: fluoro; iodo
• SMILES string: FC(F)(F)c1ccc(I)cc1
• InChI: 1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H
• InChI key: SKGRFPGOGCHDPC-UHFFFAOYSA-N

Popis

General description

4-Iodobenzotrifluoride undergoes aminocarbonylation in DMF using phosphoryl chloride to give N,N-dimethyl-(4-trifluoromethyl)benzamide. Mechanism of the copper-free Sonogashira cross-coupling reaction of 4-iodobenzotrifluoride with differently para-substituted phenylacetylenes has been investigated.

Application

4-Iodobenzotrifluoride may be employed as substrate with electron-deficient aromatic ring, during Mizoroki-Heck reaction with acrylic acid, to afford 4-trifluoromethylcinnnamic acid.

Bezpečnostní informace

• 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_germany: WGK 3
• flash_point_f: 156.2 °F - closed cup
• flash_point_c: 69 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter