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ChemicalBook > Product Catalogue >Chemical Reagents >Organic reagents >Nitro compounds >Ethyl 4-nitrobenzoylacetate

Ethyl 4-nitrobenzoylacetate

Ethyl 4-nitrobenzoylacetate Structure
  • ₹2500 - ₹4200
  • Product name: Ethyl 4-nitrobenzoylacetate
  • CAS: 838-57-3
  • MF: C11H11NO5
  • MW: 237.21
  • EINECS:212-656-7
  • MDL Number:MFCD00007357
  • Synonyms:ethyl4-nitro-beta-oxobenzenepropanoate ;Acetic acid, (p-nitrobenzoyl)-, ethyl ester;3-keto-3-(4-nitrophenyl)propionic acid ethyl ester;3-Oxo-3-(p-nitrophenyl)propionic acid, ethyl e;4-Nitro-b-oxo-benzenepropanoic acid ethyl ester;Ethyl 3-oxo-3-(4-nitrophenyl)propanoate;NSC 62134;Benzenepropanoic acid, 4-nitro-β-oxo-, ethyl ester
3 prices
Selected condition:

Brand

  • TCI Chemicals (India)
  • Sigma-Aldrich(India)

Package

  • 5G
  • 25G
  • ManufacturerTCI Chemicals (India)
  • Product numberN0513
  • Product descriptionEthyl (4-Nitrobenzoyl)acetate 98.0 %(total of isomers)
  • Packaging5G
  • Price₹2500
  • Updated2022-05-26
  • Buy
  • ManufacturerTCI Chemicals (India)
  • Product numberN0513
  • Product descriptionEthyl (4-Nitrobenzoyl)acetate 98.0 %(total of isomers)
  • Packaging25G
  • Price₹4200
  • Updated2022-05-26
  • Buy
  • ManufacturerSigma-Aldrich(India)
  • Product numberE41206
  • Product descriptionEthyl 4-nitrobenzoylacetate
  • Packaging5G
  • Price₹2825.33
  • Updated2022-06-14
  • Buy
Manufacturer Product number Product description Packaging Price Updated Buy
TCI Chemicals (India) N0513 Ethyl (4-Nitrobenzoyl)acetate 98.0 %(total of isomers) 5G ₹2500 2022-05-26 Buy
TCI Chemicals (India) N0513 Ethyl (4-Nitrobenzoyl)acetate 98.0 %(total of isomers) 25G ₹4200 2022-05-26 Buy
Sigma-Aldrich(India) E41206 Ethyl 4-nitrobenzoylacetate 5G ₹2825.33 2022-06-14 Buy

Properties

Melting point :67-71 °C
Boiling point :379.74°C (rough estimate)
Density :1.3350 (rough estimate)
refractive index :1.5300 (estimate)
storage temp. :Sealed in dry,Room Temperature
pka :8.70±0.25(Predicted)
form :powder to crystal
color :White to Light yellow to Light orange
BRN :1124763
InChI :InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-3-5-9(6-4-8)12(15)16/h3-6H,2,7H2,1H3
InChIKey :NGRXSVFCLHVGKU-UHFFFAOYSA-N
SMILES :C1(C=CC([N+]([O-])=O)=CC=1)C(=O)CC(=O)OCC
CAS DataBase Reference :838-57-3(CAS DataBase Reference)
EPA Substance Registry System :Benzenepropanoic acid, 4-nitro-.beta.-oxo-, ethyl ester (838-57-3)

Safety Information

Symbol(GHS): GHS hazard pictograms
Signal word: Warning
Hazard statements:
Code Hazard statements Hazard class Category Signal word Pictogram P-Codes
H302 Harmful if swallowed Acute toxicity,oral Category 4 Warning GHS hazard pictograms P264, P270, P301+P312, P330, P501
H315 Causes skin irritation Skin corrosion/irritation Category 2 Warning GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 Causes serious eye irritation Serious eye damage/eye irritation Category 2A Warning GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 May cause respiratory irritation Specific target organ toxicity, single exposure;Respiratory tract irritation Category 3 Warning GHS hazard pictograms
Precautionary statements:
P261 Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Description

It is employed as a reactant involved in synthesis of β-1,3-dicarbonyl aldehydes via oxidation, knoevenagel condensation using a lysine catalyst, and cycloisomerization for the synthesis of trisubstituted furans. It is also a reactant for the fluorination by HF and iodosylbenzene, intramolecular Michael addition reactions and synthesis of diols. Also applied in the synthesis of diols via reduction of aromatic and aliphatic ketos esters6 and cross-coupling reactions for stereo selective synthesis of unsymmetrical 1,4-enediones.

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