Barium Acetate - ACS, ≥99% , CAS No.543-80-6

CAS: 543-80-6 Cat. No.: B102947 Formula: C₄H₆O₄·Ba Molecular Weight: 255.42 Beilstein Registry Number: 3693411 EC Number: 208-849-0

GRADE & PURITY ACS, ≥99%

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

ACS, ≥99%

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

ACS

Purity

≥99%

Names and Identifiers

Pubchem Sid

508811950

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811950

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 and ethanol.
• 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