5-nitroisophthalic acid

Basic Information:

Introduction: 5-nitroisophthalic acid is an important intermediate material for non-ionic contrast agents such as iodohexyl alcohol, iodoparol, iodoformol, etc. It is also the starting material for disperse dyes 2, 6-dicyano-4-nitroaniline, which has a wide range of applications and market prospects。

Chemical name: 5-nitroisophthalic acid; 5-nitro-1, 3-phthalic acid

CAS number: 618-88-2

Molecular formula: C8H5NO6

Molecular weight: 211.13

EINECS number: 210-568-3

Structural formula：

Related categories: Organic chemical raw materials; Pharmaceutical intermediates;

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Product Detail

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Physicochemical property

Melting point: 259-261 °C(lit.)

Boiling point: 350.79°C (rough estimate)

Density: 1.6342 (rough estimate)

Refractive index: 1.5282 (estimate)

Flash point: 120°C

Solubility: Soluble in alcohol, ether and hot water

properties: white to white powder.

Vapor pressure: 0.0±1.2 mmHg at 25°C

Specification index

specification	unit	standard
Appearance		White to white powder
Content	%	≥99%
Moisture	%	≤0.5

Product Application

An important intermediate for disperse dyes. It is also the intermediate of the diagnostic drug new ubiquitin (X-ray contrast agent); It is also used to synthesize a novel drug compound based on PDE IV inhibitor glycolinic acid; It is also used as an intermediate for disperse dyes (blue azo dyes).

production

Concentrated sulfuric acid (104.3mL, 1.92mol) was added into three bottles, then isophthalic acid (40g, 0.24mol) was added, stirred and heated to 60℃, held for 0.5h, and 60% nitric acid (37.8g, 0.36mol) was added to control the droplet acceleration degree. Add it in 2 hours. After addition, heat preservation reaction at 60℃ for 2 hours. Cool to below 50 ° C, then add 100mL of water. The material was cooled to room temperature, poured into the filter, pumped to remove the waste acid, the filter cake was washed with water, drained to recrystallize, and the white product was 34.6 grams, the yield was 68.4%.