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206563

3-Iodobenzotrifluoride

Name: 3-Iodobenzotrifluoride
Brand: ALDRICH

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

NACRES:

NA.22

PubChem Substance ID:

24852409

UNSPSC Code:

12352100

EC Number:

206-934-7

MDL number:

MFCD00001049

Assay:

98%

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Properties

Quality Segment

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.

Hazard Classifications

Aquatic Chronic 2

Storage Class

10 - Combustible liquids

wgk

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

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