Copper acetate monohydrate - ≥99.95% metals basis , CAS No.6046-93-1

CAS: 6046-93-1 Cat. No.: C108085 Formula: C₄H₆CuO₄·H₂O Molecular Weight: 199.65 Beilstein Registry Number: 3730548 EC Number: 611-978-9

GRADE & PURITY ≥99.95% metals basis

Synonyms

Copper(II) Acetate Monohydrate | Acetic Acid Copper(II) Salt Monohydrate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Copper(II) Acetate Monohydrate | Acetic Acid Copper(II) Salt Monohydrate

Specifications & Purity

≥99.95% metals basis

Storage

Room temperature

Shipped In

Normal

Purity

≥99.95% metals basis

Names and Identifiers

Pubchem Sid

508811966

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811966

Canonical Smiles

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

IUPAC Name

copper;diacetate;hydrate

InChIKey

NWFNSTOSIVLCJA-UHFFFAOYSA-L

INCHI

1S/2C2H4O2.Cu.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2

Isomeric SMILES

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

WGK Germany

3

RTECS

AG3500000

UN Number

3077

Packing Group

II

Molecular Weight

199.65

Beilstein

3730548

Reaxy-Rn

3730548

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3730548&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 oxides Organic copper salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Acetate salt - Organic transition metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic copper salt - 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

• Sensitivity: Moisture sensitive.
• x_melt_point_char: 240 °C
• Molecular Weight: 199.650 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 198.967 Da
• Monoisotopic Mass: 198.967 Da
• Topological Polar Surface Area: 81.300 Ų
• Heavy Atom Count: 10
• 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: 4

XLogP3