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206563

Sigma-Aldrich

3-Iodobenzotrifluoride

98%

Synonym(s):

3-Iodo-α,α,α-trifluorotoluene

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About This Item

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

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.)

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

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.

Pictograms

Environment
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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN8799
MKCJ5669
MKCG6420
MKBZ9810V
MKBX4302V

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Rafael Luque et al.
Organic & biomolecular chemistry, 7(8), 1627-1632 (2009-04-04)
An efficient metal-free Sonogashira coupling protocol catalysed by DABCO is reported, where very good conversions and selectivities to the cross-coupling product were obtained under mild reaction conditions. The reported solvent-, phosphane- and metal-free protocol, that uses a cheap base as
Ming-Cheng Kuo et al.
Dalton transactions (Cambridge, England : 2003), (14)(14), 1433-1439 (2007-03-28)
Sonogashira coupling of zinc 5,10,15,20-tetraethynylporphyrin with various phenyl iodides under mild conditions afforded good yields of the corresponding zinc porphyrins. This method is applicable to a variety of aryl iodides including meso-substituted iodoporphyrin to form a conjugated star-shaped multiporphyrin. The

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