Calcium(II) Bis(trifluoromethanesulfonyl)imide - ≥98% , CAS No.165324-09-4

CAS: 165324-09-4 Cat. No.: C153286 Molecular Weight: 600.35 EC Number: 694-691-1 PubChem CID: 46242197

GRADE & PURITY ≥98%

Synonyms

EN300-20787115 | Calcium(II) Bis(trifluoromethanesulfonyl)imide | Calcium(II) Triflimide | Bis(trifluoromethanesulfonyl)imide Calcium(II) Salt | Calcium(II)Bis(trifluoromethanesulfonyl)imide | Calcium(II) Bis(trifluoromethanesulfonyl)imide 99.5% | calcium

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

EN300-20787115 | Calcium(II) Bis(trifluoromethanesulfonyl)imide | Calcium(II) Triflimide | Bis(trifluoromethanesulfonyl)imide Calcium(II) Salt | Calcium(II)Bis(trifluoromethanesulfonyl)imide | Calcium(II) Bis(trifluoromethanesulfonyl)imide 99.5% | calcium

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201276
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201276
• Canonical Smiles: C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Ca+2]
• IUPAC Name: calcium;bis(trifluoromethylsulfonyl)azanide
• InChIKey: WFABOCFDABTAPE-UHFFFAOYSA-N
• INCHI: 1S/2C2F6NO4S2.Ca/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2
• Isomeric SMILES: C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Ca+2]
• WGK Germany: 3
• PubChem CID: 46242197
• Molecular Weight: 600.35
• Reaxy-Rn: 19583758

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids and derivatives
• Alternative Parents: Sulfonyls Trihalomethanes Organic metal halides Organic calcium salts Organofluorides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Not available
• Substituents: Organosulfonic acid or derivatives - Sulfonyl - Trihalomethane - Organic calcium salt - Organic metal halide - Alkyl fluoride - Alkyl halide - Organic oxide - Halomethane - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organofluoride - Organohalogen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids and derivatives. These are compounds containing a sulfonic acid or derivative, with the general structure RS(=O)2X (R=alkyl, aryl; X=any heteroatom).
• 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
• Sensitivity: Hygroscopic
• Melt Point(°C): >300 °C
• Molecular Weight: 600.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 4
• Exact Mass: 599.797 Da
• Monoisotopic Mass: 599.797 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 374.000
• 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