Calcium boride - ≥99.5% , CAS No.12007-99-7

CAS: 12007-99-7 Cat. No.: C665065 Molecular Weight: 104.94 EC Number: 234-525-3 PubChem CID: 16212529

GRADE & PURITY ≥99.5%

Synonyms

calcium hexaboride

Storage

Room temperature

Shipped In

Normal

Overview

Calcium boride is used as electrode (cathode) material and N-type thermoelectric material. It is used in the manufacture of boron alloy steel and serves as a deoxidizer for the production of oxygen-free copper. It is further used as an antioxidant in carbon-bonded refractory materials. New materials used in the nuclear industry for neutron protection, high-purity metal borides (TiB2, ZrB2, HfB2), and high-purity boron alloys (Ni-B, Co-B, Cu-b).

Specifications

Synonyms

calcium hexaboride

Specifications & Purity

≥99.5%

Storage

Room temperature

Shipped In

Normal

Purity

≥99.5%

Names and Identifiers

• Canonical Smiles: B12B3[B-]14B5[B-]23B45.[Ca+2]
• IUPAC Name: calcium;2,3,5,6-tetrabora-1,4-diboranuidapentacyclo[3.1.0.01,3.02,4.04,6]hexane
• InChIKey: AWVIDOFQNLOVRC-UHFFFAOYSA-N
• INCHI: 1S/B6.Ca/c1-2-5(1)3-4(5)6(1,2)3;/q-2;+2
• Isomeric SMILES: B12B3[B-]14B5[B-]23B45.[Ca+2]
• WGK Germany: 3
• PubChem CID: 16212529
• Molecular Weight: 104.94

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Metalloid salts

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Metalloid salts
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Metalloid salts
• Alternative Parents: Intermetallic metalloid compounds Inorganic calcium salts
• Molecular Framework: Not available
• Substituents: Intermetallic metalloid - Inorganic calcium salt - Inorganic salt - Inorganic metalloid salt
• Description: This compound belongs to the class of inorganic compounds known as metalloid salts. These are inorganic halogenic compounds in which the heaviest metal atom is a metalloid.
• 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: Insoluble in water
• Melt Point(°C): 2235℃
• Molecular Weight: 105.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 105.022 Da
• Monoisotopic Mass: 106.018 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 132.000
• 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: 2

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