Ammonium formate solution - UltraBio™, Ultra pure, 10 M in H2O , CAS No.540-69-2

CAS: 540-69-2 Cat. No.: A432862 Formula: CH₅NO₂ Molecular Weight: 63.06 Beilstein Registry Number: 3625095 EC Number: 208-753-9

GRADE & PURITY UltraBio™, Ultra pure, 10 M in H2O

Synonyms

HC(O)ONH4 | AMMONIUM FORMATE | ammonium for-mate | ammonium formate- | Ammonium formate-d5 | Ammoniumformiate | Ammonium-formiate | D78097 | 3801F9644E | amonium formate | EINECS 208-753-9 | Q420466 | CH5NO2 | annmonium formate | mono-ammonium formate sal

Storage

Room temperature

Overview

Ammonium formate is readily available, stable and nontoxic in nature. It can be used in conjugation with palladium on carbon (Pd-C) or Raney-nickel catalysts.

Application

Ammonium formate has been used as a constituent in pre-mixed eluents for forming gradient during quantification of diuron by liquid chromatography-mass spectrometry (LC-MS).

Specifications

Synonyms

HC(O)ONH4 | AMMONIUM FORMATE | ammonium for-mate | ammonium formate- | Ammonium formate-d5 | Ammoniumformiate | Ammonium-formiate | D78097 | 3801F9644E | amonium formate | EINECS 208-753-9 | Q420466 | CH5NO2 | annmonium formate | mono-ammonium formate sal

Specifications & Purity

UltraBio™, Ultra pure, 10 M in H2O

Storage

Room temperature

Grade

Ultra pure, UltraBio™

Names and Identifiers

Pubchem Sid

528773582

Canonical Smiles

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

IUPAC Name

azanium;formate

InChIKey

VZTDIZULWFCMLS-UHFFFAOYSA-N

INCHI

1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3

Isomeric SMILES

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

WGK Germany

1

Molecular Weight

63.06

Beilstein

3625095

Reaxy-Rn

3625095

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3625095&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

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

• Solubility: H2O: 10M at20°C, clear, colorless
• x_melt_point_char: 116°C
• Molecular Weight: 63.056 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 63.032 Da
• Monoisotopic Mass: 63.032 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 7.500
• 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