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641979

Ethyl 4-iodobenzoate

Name: Ethyl 4-iodobenzoate
Brand: ALDRICH

97%

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About This Item

Empirical Formula (Hill Notation):

C₉H₉IO₂

CAS Number:

51934-41-9

Molecular Weight:

276.07

NACRES:

NA.22

PubChem Substance ID:

24883160

UNSPSC Code:

12352100

MDL number:

MFCD00017344

Assay:

97%

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Properties

Quality Level

100

assay

97%

refractive index

n20/D 1.5880 (lit.)

density

1.641 g/mL at 25 °C (lit.)

functional group

ester, iodo

SMILES string

CCOC(=O)c1ccc(I)cc1

InChI

1S/C9H9IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

InChI key

YCBJOQUNPLTBGG-UHFFFAOYSA-N

Description

Application

Ethyl 4-iodobenzoate can be used in the synthesis of biphenyl derivatives via Negishi cross coupling with the intermediates of the type ArMg(tmp)·2LiCl (tmp = trimethylolpropane). It can also be used as a starting material in the synthesis of p-carbomethoxyphenylmagnesium bromide, a polyfunctional organometallic reagent that can be used as building block in the synthesis of complex target molecules.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

>230.0 °F - closed cup

flash_point_c

> 110 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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"Preparation and reactions of functionalized arylmagnesium reagents"

Jensen EA, et al.

Synthesis, 2002(04), 0565-0569 (2002)

"Direct Magnesiation of Polyfunctionalized Arenes and Heteroarenes Using (tmp) 2Mg? 2 LiCl"

Clososki.CG, et al.

Angewandte Chemie (Weinheim an der Bergstrasse, Germany), 46(40), 7681-7684 (2007)

Global Trade Item Number

SKU	GTIN
641979-5G	04061832729039
641979-25G	04061836686277