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Dimethyl 5-nitroisophthalate

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CAS:13290-96-5
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  • $13.95 / 25Kg/Drum
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  • CAS:13290-96-5
  • Min. Order: 25Kg/Drum
  • Purity: 99.00%HPLC
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  • Dimethyl 5-nitroisophthalate
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  • 2025-09-25
  • CAS:13290-96-5
  • Min. Order: 1KG
  • Purity: 99%
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Dimethyl 5-nitroisophthalate Basic information
Uses
Product Name:Dimethyl 5-nitroisophthalate
Synonyms:DIMETHYL 5-NITRO-ISO-PHTHALATE PESTANAL;5-nitrodimethyl-1,3-benzenedicarboxylate;Dimethyl- 5–Nitroisophathalate;5-NIPA-DME;5-nitrobenzene-1,3-dicarboxylic acid dimethyl ester;5-nitro-isophtalic acid dimethyl ester;Dimethyl-5itroisophathalate;DIMETHYLNITROISOPHTHALATE-5
CAS:13290-96-5
MF:C10H9NO6
MW:239.18
EINECS:236-307-3
Product Categories:Esters;Organic Building Blocks;Building Blocks;C10 to C11;Carbonyl Compounds;Chemical Synthesis;FINE Chemical & INTERMEDIATES;Aromatic Esters;13290-96-5
Mol File:13290-96-5.mol
Dimethyl 5-nitroisophthalate Structure
Dimethyl 5-nitroisophthalate Chemical Properties
Melting point 123-125 °C (lit.)
Boiling point 381.83°C (rough estimate)
density 1.4504 (rough estimate)
refractive index 1.5310 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility soluble in Toluene
form powder to crystal
color White to Light yellow
BRN 2140916
InChIInChI=1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3
InChIKeyGGTSJKFPGKFLCZ-UHFFFAOYSA-N
SMILESC1(C(OC)=O)=CC([N+]([O-])=O)=CC(C(OC)=O)=C1
CAS DataBase Reference13290-96-5(CAS DataBase Reference)
NIST Chemistry Reference1,3-Benzenedicarboxylic acid, 5-nitro-, dimethyl ester(13290-96-5)
EPA Substance Registry SystemDimethyl 5-nitroisophthalate (13290-96-5)
Safety Information
Hazard Codes Xn
Risk Statements 20/21/22
Safety Statements 22-24/25-36
RIDADR UN 2811
WGK Germany 2
RTECS CZ4340000
TSCA Yes
HS Code 29173990
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
Dimethyl 5-nitroisophthalate Usage And Synthesis
UsesDimethyl 5-Nitroisophthalate is a useful chemical in organic synthesis.
Chemical Propertiesslightly yellow fine crystalline powder
UsesDimethyl 5-nitroisophthalate has been used as starting reagent in the synthesis of 5-nitro-1,3-bis(ethylenediamine) and 5-nitroisophthaldihydrazide.
Synthesis
Methanol

67-56-1

5-Nitroisophthalic acid

618-88-2

Dimethyl 5-nitroisophthalate

13290-96-5

In a 100 mL three-necked round-bottomed flask equipped with a condenser tube, an electric stirrer and a thermometer, 5.0 g of 5-nitroisophthalic acid and 33.3 mL of methanol were added sequentially. The mixture was stirred under nitrogen protection at room temperature for about 3 minutes until the solid was completely dissolved to give a colorless transparent solution. Subsequently, 1.0 mL of concentrated sulfuric acid was slowly added dropwise and heated to reflux, and after the reaction for about 3 hours, white solid precipitation was observed. The progress of the reaction was monitored by thin layer chromatography (TLC, unfolding agent ratio of dichloromethane:methanol=10:1). Upon completion of the reaction, it was cooled to room temperature, crystals were precipitated and the solid product was collected by filtration. The filter cake was washed with deionized water and finally mixed with a small amount of water and dried to obtain dimethyl 5-nitroisophthalate. The product yield was 98%.

References[1] Patent: CN105254521, 2016, A. Location in patent: Paragraph 0025
[2] Journal of the Chemical Society, 1905, vol. 87, p. 1265
[3] Journal fuer Praktische Chemie (Leipzig), 1882, vol. <2> 25, p. 491
[4] Patent: US2005/281746, 2005, A1. Location in patent: Page/Page column 15-16
Dimethyl 5-nitroisophthalate Preparation Products And Raw materials
Raw materials5-Nitroisophthalic acid-->Methanol
Preparation ProductsMethyl 5-nitroisophthalate-->Dimethyl 5-aminoisophthalate-->5-NITROISOPHTHALALDEHYDE
Tag:Dimethyl 5-nitroisophthalate(13290-96-5) Related Product Information
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