Calcium aluminum oxide - ≥99% metals basis , CAS No.12042-68-1

CAS: 12042-68-1 Cat. No.: C302610 Molecular Weight: 158.02 EC Number: 234-931-0

GRADE & PURITY ≥99% metals basis

Synonyms

Aluminum calcium oxide (Al2CaO4) | calcium dialuminate | CALCIUMALUMINATE | XFWJKVMFIVXPKK-UHFFFAOYSA-N | Calcium aluminum oxide | calcium;oxido(oxo)alumane | Dialuminium calcium tetraoxide | MFCD00049722 | Calcium aluminate | J-004335 | EINECS 234-931-0

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Calcium aluminum oxide is used as a precursor in the production of naphtha steam reforming catalysts, refinery gas steam reforming catalysts, aluminum chlorohydrate, secondary hydrocarbon steam reforming catalysts. It is also used in the production of refractory and cements.

Specifications

Synonyms

Aluminum calcium oxide (Al2CaO4) | calcium dialuminate | CALCIUMALUMINATE | XFWJKVMFIVXPKK-UHFFFAOYSA-N | Calcium aluminum oxide | calcium;oxido(oxo)alumane | Dialuminium calcium tetraoxide | MFCD00049722 | Calcium aluminate | J-004335 | EINECS 234-931-0

Specifications & Purity

≥99% metals basis

Storage

Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥99% metals basis

Names and Identifiers

• Pubchem Sid: 488188291
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188291
• Canonical Smiles: [O-][Al]=O.[O-][Al]=O.[Ca+2]
• IUPAC Name: calcium;oxido(oxo)alumane
• InChIKey: XFWJKVMFIVXPKK-UHFFFAOYSA-N
• INCHI: 1S/2Al.Ca.4O/q;;+2;;;2*-1
• Isomeric SMILES: [O-][Al]=O.[O-][Al]=O.[Ca+2]
• Molecular Weight: 158.02
• Reaxy-Rn: 13192714
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13192714&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Alkaline earth metal oxoanionic compounds
      • Subclass Alkaline earth metal aluminates

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Alkaline earth metal oxoanionic compounds
• Subclass: Alkaline earth metal aluminates
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkaline earth metal aluminates
• Alternative Parents: Miscellaneous aluminates Inorganic oxides Inorganic calcium salts
• Molecular Framework: Not available
• Substituents: Aluminate - Alkaline earth metal aluminate - Inorganic calcium salt - Inorganic oxide - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as alkaline earth metal aluminates. These are inorganic compounds in which the largest oxoanion is aluminate, and in which the heaviest atom not in an oxoanion is a lanthanide.
• 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
• Melt Point(°C): 1600°C
• Molecular Weight: 158.040 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 157.905 Da
• Monoisotopic Mass: 157.905 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 7.500
• 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