25395-22-6

Basic information

• Product Name: (2-CARBAMOYLPHENOXY)ACETIC ACID
• Synonyms: 2-(CARBOXYMETHOXY)BENZAMIDE;(2-CARBAMOYLPHENOXY)ACETIC ACID;2-AMINOCARBONYL-PHENOXYACETIC ACID;AKOS AU36-M6;SALICYLAMIDE O-ACETIC ACID;(2-(aminocarbonyl)phenoxy)-aceticaci;(o-carbamoylphenoxy)-aceticaci;(o-carbamoylphenoxy)aceticacid
• CAS NO: 25395-22-6
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.17
• EINECS: 246-940-7
• Mol File: 25395-22-6.mol

Chemical Properties

• Melting Point: 222°C
• Boiling Point: 331.83°C (rough estimate)
• Flash Point: 207.3°C
• Appearance: /
• Density: 1.3544 (rough estimate)
• Vapor Pressure: 8.94E-08mmHg at 25°C
• Refractive Index: 1.5700 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly, Sonicated)
• PKA: 3.06±0.10(Predicted)
• Merck: 14,8329
• CAS DataBase Reference: (2-CARBAMOYLPHENOXY)ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (2-CARBAMOYLPHENOXY)ACETIC ACID(25395-22-6)
• EPA Substance Registry System: (2-CARBAMOYLPHENOXY)ACETIC ACID(25395-22-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• RTECS: AF7893000
• HazardClass: IRRITANT
• Hazardous Substances Data: 25395-22-6(Hazardous Substances Data)

Usage

Uses

[2-(Aminocarbonyl)phenoxy]acetic Acid can be used to treat acne.

InChI:InChI=1/C9H9NO4/c10-9(13)6-3-1-2-4-7(6)14-5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12)

Upstream product

• 79-11-8 chloroacetic acid 
• 65-45-2 salicylamide 
• 90074-90-1 2-(ethoxycarbonylmethyloxy)benzamide 

Downstream Products

• 90922-64-8 (2-Carbamoyl-phenoxy)-essigsaeure-methylester 
• 105340-80-5 (2-carbamoyl-phenoxy)-acetic acid propyl ester 
• 90074-90-1 2-(ethoxycarbonylmethyloxy)benzamide 
• 14151-88-3 2,3,4,5-tetrahydro-1,4-benzoxazepine-3,5-dione 
• 20855-59-8 N--aminoacetonitril 
• 6574-95-4 2-cyanoyphenoxyacetic acid 
• 101280-40-4 2-(benzylcarbamoyl-methoxy)-benzoic acid amide 
• 102313-41-7 (2-carbamoyl-phenoxy)-acetic acid-[2-chloro-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-ethylLiDenehydrazide] 

Relevant articles and documents

Structural, spectroscopic and theoretical studies of sodium (2-carbamoylphenoxy) acetate salt

Sodium (2-carbamoylphenoxy) acetate salt crystal belongs to the P-1 space group of triclinic system, Z = 2. The asymmetric part of the unit cell consists of four (2-carbamoylphenoxy) acetate (CBA) molecules. Three Na+ ions are surrounded by six O atoms and one Na+ ion is surrounded by five O atoms. The mean Na1+ … O and Na2+ … O distance is 2.47 ? while Na3+ … O is 2.43 ? and Na4+ … O is 2.49 ?. The supramolecular self-assembly of the four (2-carbamoylphenoxy) acetate molecules is realized by hydrogen bonds, and a variety of intermolecular interactions. The interactions within the bulk of the crystal structure were highlighted with Hirshfeld surfaces. FT-IR and Raman spectra of the studied compound are reported for the first time. Assignments of the normal modes was done with the aid of density functional theory frequency calculations on the monomer and two dimers, at B3LYP/6-311 + G(2d,p) level of theory.