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3-Cyanobenzoic acid

ALDRICH/157163 - 98%

Synonym: Isophthalic acid mononitrile

CAS Number: 1877-72-1
Empirical Formula (Hill Notation): C8H5NO2
Molecular Weight: 147.13
EC Number: 217-511-1
MDL Number: MFCD00002486
Linear Formula: NCC6H4CO2H
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-157163-10G 10 g
 $105.00
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This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material.

This image depicts SKU: 157163-10G

 

assay 98%
form powder
InChI 1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)
InChI key GYLKKXHEIIFTJH-UHFFFAOYSA-N
mp 220-224 °C (lit.)
Quality Level 100 
SMILES string OC(=O)c1cccc(c1)C#N
Application: 3-Cyanobenzoic acid was used in the preparation of new Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers via in situ [2+3] cycloaddition reactions with NaN3 in the presence of Zn(II) and/or Co(II) salts under hydrothermal conditions. It was also used in the synthesis of three-dimensional coordination polymer, [Mn3(OH)2Na2(3-cnba)6]n (3-Hcnba = 3-cyanobenzoic acid).
Packaging: 10 g in poly bottle
Purity 98%
mp 220-224 °C (lit.)
UNSPSC 12352100

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