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Basic Information
CAS No.: 12042-68-1
Name: CALCIUM ALUMINATE
Article Data: 3
Molecular Structure:
Molecular Structure of 12042-68-1 (CALCIUM ALUMINATE)
Formula: Al2CaO4
Molecular Weight: 73.0544
Synonyms: Aluminate (AlO21-),calcium (2:1);Calcium aluminate;Dialuminium calcium tetraoxide;Aluminum calcium oxide;
EINECS: 234-931-0
Density: 2.981
Melting Point: 1600 °C
Solubility: Insoluble in water.
Appearance: white monoclinic, triclinic or orthorhombic crystals
Hazard Symbols: C
Risk Codes: R10; R34
PSA: 80.26000
LogP: -0.25020
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  • CSR160805-10789

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    12042-68-1

    CSR160805-10789

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    SkyRun Industrial CO.,LTD is a leading chemical producer in China. We supply Intermediate, Agro-Chemical and Petrol Chemicals for different usage.SkyRun Industrial CO.,LTD is a leading chemical producer in China. We supply Intermediate, Agro-Chemic

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  • Calcium aluminate

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    12042-68-1

    Calcium aluminate

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    sub/micron to mesh powders (near/spheres, whiskers, flake, fiber, porous) and grain/ball, thin/ thick metal / alloys pieces / parts, thin and thick (particle) film materials /target, and custom-made crystals, substrates/parts. In the industries and a

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  • Calcium Aluminate Synthetic Slag for Steel Smelting Furnace

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    12042-68-1

    Calcium Aluminate Synthetic Slag for Steel Smelting Furnace

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    Calcium Aluminate Synthetic Slag for Steel Smelting FurnaceAppearance:light gray-green powder Storage:RT. Package:1 or 1.1 MT big bag. Application:cement accelerator Transportation:by sea,air Port:China main place

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Specification

The IUPAC name of Calcium aluminate is calcium oxido(oxo)alumane. With the CAS registry number 12042-68-1, it is also named as Dialuminium calcium tetraoxide. The product's category is Inorganics, and the other registry numbers are 193901-41-6; 216597-83-0; 303190-12-7; 488703-54-4; 544695-36-5; 79176-81-1. Besides, it is white monoclinic, triclinic or orthorhombic crystals, which is hygroscopic. In addition, its molecular formula is Al2CaO4 and molecular weight is 158.04.

The other characteristics of this product can be summarized as: (1)EINECS: 234-931-0; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 0; (5)Exact Mass: 157.905327; (6)MonoIsotopic Mass: 157.905327; (7)Topological Polar Surface Area: 80.3; (8)Heavy Atom Count: 7; (9)Complexity: 7.5; (10)Melting Point: 1600 °C.

Preparation and Uses of Calcium aluminate: this chemical can be prepared by congruent melting of CaO and Al2O3. Additionally, it can be used for the manufacture of portland cement. It can also be used for the production of aluminum sulfate, polymeric aluminum.

People can use the following data to convert to the molecule structure.
(1)SMILES: [Ca+2].[O-][Al]=O.[O-][Al]=O
(2)InChI: InChI=1/2Al.Ca.4O/q;;+2;;;2*-1/r2AlO2.Ca/c2*2-1-3;/q2*-1;+2
(3)InChIKey: XFWJKVMFIVXPKK-KNRSMWKCAL