Barium Acetate - PrimorTrace™, ≥99.99% metals basis , CAS No.543-80-6

CAS: 543-80-6 Cat. No.: B102949 Formula: C₄H₆O₄·Ba Molecular Weight: 255.42 Beilstein Registry Number: 3693411 EC Number: 208-849-0

GRADE & PURITY PrimorTrace™, ≥99.99% metals basis

Synonyms

AKOS015837566 | BARIUM ACETATE [WHO-DD] | Q421133 | barium(II) acetate | BARYTA ACETICA | ACETIC ACID, BARIUM SALT | Acetic acid, barium salt (2:1) | Barium acetate | DTXSID7020130 | Acetic acid barium salt (2:1) | CHEBI:190441 | SCHEMBL19642 | BARIUM ACE

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

AKOS015837566 | BARIUM ACETATE [WHO-DD] | Q421133 | barium(II) acetate | BARYTA ACETICA | ACETIC ACID, BARIUM SALT | Acetic acid, barium salt (2:1) | Barium acetate | DTXSID7020130 | Acetic acid barium salt (2:1) | CHEBI:190441 | SCHEMBL19642 | BARIUM ACE

Specifications & Purity

PrimorTrace™, ≥99.99% metals basis

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

PrimorTrace™

Purity

≥99.99% metals basis

Names and Identifiers

Pubchem Sid

504752040

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752040

Canonical Smiles

CC(=O)[O-].CC(=O)[O-].[Ba+2]

IUPAC Name

barium(2+);diacetate

InChIKey

ITHZDDVSAWDQPZ-UHFFFAOYSA-L

INCHI

1S/2C2H4O2.Ba/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].[Ba+2]

WGK Germany

1

RTECS

AF4550000

UN Number

1564

Molecular Weight

255.42

Beilstein

3693411

Reaxy-Rn

3693411

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3693411&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid salts
          • Level6 Acetate salts

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid salts
• Direct Parent: Acetate salts
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Acetate salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acetate salts. These are organic compounds containing acetic acid as its acid component.
• External Descriptors: Not available

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: Soluble in water. Insoluble in alcohol.
• Sensitivity: Moisture sensitive.
• Molecular Weight: 255.410 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 255.932 Da
• Monoisotopic Mass: 255.932 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 9
• 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: 3

XLogP3

Frequently Asked Questions

What does the trace-metals specification mean?

This product is specified at ≥99.99% on a trace-metals basis. That figure describes metallic impurity content rather than overall chemical assay, so it is the relevant specification for ICP-MS, semiconductor and battery applications. Lot-specific values are stated on the Certificate of Analysis.

What does PrimorTrace? mean?

PrimorTrace? indicates that the chemical has been purified and tested specifically for use in trace and elemental analysis. Key specifications typically include controlled UV absorbance at common detection wavelengths, low non-volatile residue, controlled moisture content, and verified lot-to-lot consistency. PrimorTrace? is used for mobile phases, sample preparation and analytical standards in this workflow.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 543-80-6, the molecular formula is C4H6BaO4, and the molecular weight is 255.42 g/mol. InChIKey ITHZDDVSAWDQPZ-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.