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Methyl 2-methyl-3-nitrobenzoate

ALDRICH/366765 - 97%

Synonym: Methyl 3-nitro-o-toluate

CAS Number: 59382-59-1
Empirical Formula (Hill Notation): C9H9NO4
Molecular Weight: 195.17
MDL Number: MFCD00082564
Linear Formula: CH3C6H3(NO2)CO2CH3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-366765-25G 25 g
 $61.70
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assay 97%
form solid
InChI 1S/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5H,1-2H3
InChI key CRZGFIMLHZTLGT-UHFFFAOYSA-N
mp 62-65 °C (lit.)
SMILES string COC(=O)c1cccc(c1C)[N+]([O-])=O
Application: Methyl 2-methyl-3-nitrobenzoate may be used in the synthesis of:
• methyl indole-4-carboxylate
• 5-aminoisoquinolin-1(2H)-one
• 5-nitroisocoumarin
• substituted nitrostyrene benzoic acids, via reaction with aromatic aldehydes in the presence of DBU in DMSO
• 4-(hydroxymethyl)-1-tosylindole, via Batcho-Leimgruber modification of the Reissert indole synthesis
• [2-(4-fluorophenyl)-1H-indol-4-yl]-1-pyrrolidinylmethanone
Packaging: 25 g in glass bottle
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity 97%
mp 62-65 °C (lit.)
UNSPSC 12352100

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