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Ethyl 4-iodobenzoate

ALDRICH/641979 - 97%

CAS Number: 51934-41-9
Empirical Formula (Hill Notation): C9H9IO2
Molecular Weight: 276.07
MDL Number: MFCD00017344
Linear Formula: C9H9IO2
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-641979-5G 5 g
 $50.80
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assay 97%
density 1.641 g/mL at 25 °C (lit.)
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
Quality Level 100 
refractive index n20/D 1.5880 (lit.)
SMILES string CCOC(=O)c1ccc(I)cc1
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.
Packaging: 5, 25 g in glass bottle
Hazard Codes N
Risk Statements 51/53
Safety Statements 61
RIDADR UN 3082 9 / PGIII
WGK Germany WGK 3
Flash Point(F) 230.0 °F - closed cup
Flash Point(C) > 110 °C - closed cup
Purity 97%
Density 1.641 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.5880 (lit.)
UNSPSC 12352100

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