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Methyl 4-isocyanatobenzoate

ALDRICH/511935 - 98%

CAS Number: 23138-53-6
Empirical Formula (Hill Notation): C9H7NO3
Molecular Weight: 177.16
MDL Number: MFCD01863690
Linear Formula: OCNC6H4CO2CH3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-511935-5G 5 g
 $179.00
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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: 511935-5G

 

assay 98%
functional group ester
  isocyanate
InChI 1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,1H3
InChI key FQDDBYGPHUUTRN-UHFFFAOYSA-N
mp 50-52 °C (lit.)
Quality Level 100 
SMILES string COC(=O)c1ccc(cc1)N=C=O
storage temp. 2-8°C
Application: Methyl 4-isocyanatobenzoate may be used in the preparation of benzimidazole-1-carboxamide-[N-(4-methylbenzoate)] 2-methylcarbamate. This compound shows significant antitumor potency against the prostate cancer cells.
General description: Methyl 4-isocyanatobenzoate is an organic building block containing an isocyanate group.
Packaging: 5 g in glass bottle
Purity 98%
mp 50-52 °C (lit.)
Storage Temp. 2-8°C
UNSPSC 12352100

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