3-[(2-hydroxyethyl)carbamoyl]-5-nitrobenzoic acid

3-[(2-hydroxyethyl)carbamoyl]-5-nitrobenzoic acid - Names and Identifiers

Name	3-[[(2-hydroxyethyl)amino]carbonyl]-5-nitrobenzoic acid
Synonyms	Einecs 245-274-4 3-[[(2-Hydroxyethyl)amino]carbonyl]-5- 5-Nitro-N-hydroxyethylisophthalamic acid 3-[(2-hydroxyethyl)carbamoyl]-5-nitrobenzoic acid 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid 3-[[(2-hydroxyethyl)amino]carbonyl]-5-nitrobenzoic acid Benzoic acid, 3-[[(2-hydroxyethyl)amino]carbonyl]-5-nitro- 3-[[(2-Hydroxyethyl)amino]carbonyl]-5-nitrobenzoic acid (for Iopromide)
CAS	22871-56-3
EINECS	245-274-4
InChI	InChI=1/C10H10N2O6/c13-2-1-11-9(14)6-3-7(10(15)16)5-8(4-6)12(17)18/h3-5,13H,1-2H2,(H,11,14)(H,15,16)

3-[(2-hydroxyethyl)carbamoyl]-5-nitrobenzoic acid - Physico-chemical Properties

Molecular Formula	C10H10N2O6
Molar Mass	254.2
Density	1.511
Melting Point	186 °C
Boling Point	514.5±50.0 °C(Predicted)
Flash Point	264.9°C
Vapor Presure	2.08E-11mmHg at 25°C
pKa	3.20±0.10(Predicted)
Storage Condition	2-8°C
Refractive Index	1.625

3-[(2-hydroxyethyl)carbamoyl]-5-nitrobenzoic acid - Introduction

3-[[(2-hydroxyethyl)amino]carbonyl]-5-nitrobenzoic acid is an organic compound with the chemical formula C10H10N2O6. The following is a detailed description of its nature, use, formulation and safety information:

Nature:
-Appearance: 3-[[(2-hydroxyethyl)amino]carbonyl]-5-nitrobenzoic acid is a pale yellow to yellow crystalline solid.
-Melting point: About 150-155 degrees Celsius.
-Solubility: It is not easy to dissolve in water, but it can be dissolved in alcohol and ether.

Use:
-Chemical reagent: This compound is often used as an organic synthesis reagent in the laboratory.
-Drug intermediate: It can also be used as an intermediate for the synthesis of certain drugs.

Method:
3-[[(2-hydroxyethyl)amino]carbonyl]-5-nitrobenzoic acid can be prepared:
1.3-amino -5-nitrobenzoic acid and NaOH reaction to generate 3-amino -5-nitrobenzoic acid sodium salt.
2. Under low temperature conditions, ethoxyiodomethane is added to Hydroxyethyl amine to generate 3-[[(hydroxyethyl) amino] methyl] phenol.
3. Reaction of 3-[[(hydroxyethyl)amino] methyl] Phenol with carbodimethylene di-tert-butyl polyketone yields 3-[[(2-hydroxyethyl)amino]carbonyl]-5-nitrobenzoic acid.

Safety Information:
- 3-[[(2-hydroxyethyl)amino]carbonyl]-5-nitrobenzoic acid will not cause obvious harm to human body under General use conditions.
-However, as a chemical, care must be taken to avoid inhalation, ingestion or skin contact.
-When operating, please wear appropriate protective equipment, such as safety glasses and laboratory gloves.
-When storing and handling, please follow the chemical safety procedures, and properly sealed to prevent spillage or leakage.

Last Update：2024-04-09 20:45:29