Ammonium formate - PrimorTrace™, ≥99.99% metals basis , CAS No.540-69-2

CAS: 540-69-2 Cat. No.: A100184 Formula: CH₅NO₂ Molecular Weight: 63.06 Beilstein Registry Number: 3625095 EC Number: 208-753-9

GRADE & PURITY PrimorTrace™, ≥99.99% metals basis

Synonyms

ammonium for-mate | ammonium formate- | Ammonium formate-d5 | Ammoniumformiate | Ammonium-formiate | D78097 | 3801F9644E | amonium formate | EINECS 208-753-9 | Q420466 | annmonium formate | mono-ammonium formate salt | Formic acid ammonium salt

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Ammoniumformate is a derivative of formic acid widely used as a hydrogen transfer reagentand formylating agent. It is also used in the preparation and storage of formicacid.

Application：

Ammonium formate can be used as: Hydrogen source in reduction of aromatic nitro compounds to corresponding amino derivatives in presence of Cu nanoparticles as catalyst. Formylating agent for synthesis of N-formyl amino acid esters. An OH radical scavenger in the preparation of nanocrystalline uranium and/or thorium oxides.

Specifications

Synonyms

ammonium for-mate | ammonium formate- | Ammonium formate-d5 | Ammoniumformiate | Ammonium-formiate | D78097 | 3801F9644E | amonium formate | EINECS 208-753-9 | Q420466 | annmonium formate | mono-ammonium formate salt | Formic acid ammonium salt

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

508814984

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814984

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

• Sensitivity: Hygroscopic
• Melt Point(°C): 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