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4-Methyl-3,5-dinitrobenzoic acid

ALDRICH/136883 - 98%

Synonym: 3,5-Dinitro-4-methylbenzoic acid; 3,5-Dinitro-p-toluic acid

CAS Number: 16533-71-4
Empirical Formula (Hill Notation): C8H6N2O6
Molecular Weight: 226.14
EC Number: 240-603-8
MDL Number: MFCD00007175
Linear Formula: (O2N)2C6H2(CH3)CO2H
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-136883-25G 25 g
 $231.00
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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: 136883-25G

 

assay 98%
form solid
InChI 1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)
InChI key LZWWZQXBKVZKIP-UHFFFAOYSA-N
mp 155-158 °C (lit.)
Quality Level 100 
SMILES string Cc1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O
solubility methanol: soluble 250 mg/10 mL, clear, faintly yellow to yellow
Application: 4-Methyl-3,5-dinitrobenzoic acid was used in characterization of the range of highly polar nitroaromatic compounds in water samples from a trinitrotoluene-contaminated waste disposal site. It was used as starting reagent for the asymmetric synthesis of the benzazocine core of FR900482.
Packaging: 25 g in poly bottle
Purity 98%
mp 155-158 °C (lit.)
UNSPSC 12352100

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