Ammonium acetate - PrimorTrace™, ≥99.99% metals basis , CAS No.631-61-8

CAS: 631-61-8 Cat. No.: A112059 Formula: C₂H₇NO₂ Molecular Weight: 77.08 Beilstein Registry Number: 4186741 EC Number: 211-162-9

GRADE & PURITY PrimorTrace™, ≥99.99% metals basis

Synonyms

ammonia acetate salt | Acetic acid, ammonium salt (1:1)

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Ammonium acetate (NH4C2H3O2) is water soluble, hygroscopic ammonium salt. It is ecofriendly and inexpensive, which can be prepared by reacting glacial acetic acid with ammonia or ammonium carbonate. It is commonly utilized in dye industry and as meat preservative. It participates in the generation of sol-gel formaldehyde sensors utilized for detecting formaldehyde in air samples. Neutron energy-gain spectrum of ammonium acetate has been recorded which gives data on the atomic motions. It has been reported to regenerate aldehydes from bisulfite addition products and diacetates in the absence of solvent and under microwave condition.

Application：
Ammonium acetate may be used as a component of mobile phase for HPLC analysis.
It may be used in the synthesis of the following:
Phenanthroline derivatives employed as corrosion inhibitors.
Highly substituted imidazoles.
2,4-Diarylpolyhydroquinoline derivatives.

Specifications

Synonyms

ammonia acetate salt | Acetic acid, ammonium salt (1:1)

Specifications & Purity

PrimorTrace™, ≥99.99% metals basis

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Grade

PrimorTrace™

Purity

≥99.99% metals basis

Names and Identifiers

Pubchem Sid

508811972

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811972

Canonical Smiles

CC(=O)[O-].[NH4+]

IUPAC Name

azanium;acetate

InChIKey

USFZMSVCRYTOJT-UHFFFAOYSA-N

INCHI

1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3

Isomeric SMILES

CC(=O)[O-].[NH4+]

WGK Germany

1

RTECS

AF3675000

Molecular Weight

77.08

Beilstein

4186741

Reaxy-Rn

10774525

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10774525&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• External Descriptors: ammonium salt - acetate salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• x_melt_point_char: 114°C
• Molecular Weight: 77.080 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 77.0477 Da
• Monoisotopic Mass: 77.0477 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 25.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3