10560-13-1

Basic information

• Product Name: Diethyl 5-nitroisophthalate
• Synonyms: DIETHYL 5-NITROISOPHTHALATE;5-Nitro-1,3-benzenedicarboxylic acid diethyl ester;Einecs 234-144-2
• CAS NO: 10560-13-1
• Molecular Formula: C₁₂H₁₃NO₆
• Molecular Weight: 267.23
• EINECS: 234-144-2
• Mol File: 10560-13-1.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 384.405 °C at 760 mmHg
• Flash Point: 164.049 °C
• Appearance: /
• Density: 1.272 g/cm³
• Vapor Pressure: 1.15E-05mmHg at 25°C
• Refractive Index: 1.537
• CAS DataBase Reference: Diethyl 5-nitroisophthalate(CAS DataBase Reference)
• NIST Chemistry Reference: Diethyl 5-nitroisophthalate(10560-13-1)
• EPA Substance Registry System: Diethyl 5-nitroisophthalate(10560-13-1)

Safety Data

• Hazardous Substances Data: 10560-13-1(Hazardous Substances Data)

Usage

General Description

Diethyl 5-nitroisophthalate is a chemical compound often used in the manufacturing sector for a variety of applications. Diethyl 5-nitroisophthalate, featuring a nitro group and two ethyl ester groups attached to an isophthalate backbone, has a molecular formula of C12H11NO6. It's recognized for its usage in the synthesis of other complex organic compounds. It's typically solid and appears as yellow crystals at room temperature. Like many nitro compounds, it needs to be handled with caution due to potential reactivity. Exact properties such as the melting point, boiling point, and exact reactivity can vary and are usually detailed in product-specific Material Safety Data Sheets (MSDS).

InChI:InChI=1/C12H13NO6/c1-3-18-11(14)9-6-5-8(13(16)17)7-10(9)12(15)19-4-2/h5-7H,3-4H2,1-2H3

Upstream product

• 64-17-5 ethanol 
• 618-88-2 5-nitrobenzene-1,3-dicarboxylic acid 
• 636-53-3 diethyl isophthalate 

Downstream Products

• 365549-28-6 diethyl 5-nitroso-isophthalate 
• 77113-64-5 (Z)-3-(3,5-Bis-hydroxymethyl-phenyl)-2-methoxymethyl-acrylonitrile 
• 146335-23-1 3,5-bis(hydroxymethyl)benzonitrile 
• 77113-75-8 3,5-bis(hydroxymethyl)benzaldehyde 
• 77113-54-3 [3-(2,4-Diamino-pyrimidin-5-ylmethyl)-5-hydroxymethyl-phenyl]-methanol 
• 71176-54-0 (3-amino-5-hydroxymethylphenyl)methanol 
• 42122-73-6 diethyl 5-aminoisophthalate 

Relevant articles and documents

Design, synthesis, and photochemical behavior of poly(benzyl ester) dendrimers with azobenzene groups throughout their architecture

A new class of dendrons and dendrimers containing azobenzene units (bearing up to 29 azobenzene groups for four generations) were designed and synthesized with the convergent method, which uses azobenzene derivatives as monomers and benzyl ester groups as linkages leading to photoresponsive dendrons and dendrimers with azobenzene units throughout their architecture. Photochemical isomerization experiments revealed that all of the dendrons and dendrimers undergo trans-cis isomerization by irradiation and cis-trans isomerization by either irradiation or heating.

Process for preparing di-C1 - C4 -alkyl 5-nitro-isophthalates

Particularly pure di-C1 -C4 -alkyl 5-nitro-isophthalates are obtained in good yield and in a simple process by dissolving 5-nitro-isophthalic acid in a mixture of a C1 -C4 -alkyl alcohol and a solvent which is miscible or only partially miscible with water, heating in the presence of a strong acid, thus forming a second, aqueous phase, crystallizing out, after the esterification reaction has ended, the di-C1 -C4 -alkyl 5-nitro-isophthalate formed from the organic phase by cooling and removing the aqueous phase before or after the di-C1 -C4 -alkyl 5-nitro-isophthalate is separated off.