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12042-78-3

Basic Information
CAS No.: 12042-78-3
Name: dialuminium tricalcium hexaoxide
Article Data: 3
Molecular Structure:
Molecular Structure of 12042-78-3 (dialuminium tricalcium hexaoxide)
Formula: Al2Ca2O5
Molecular Weight: 76.7251
Synonyms: Aluminum calcium oxide (Al2Ca3O6);Denka Cosmic;NCA 103;NCA 703;Tricalcium aluminate;
EINECS: 234-932-6
Density: 3.040
Melting Point: 1535°C
Solubility: soluble acids [HAW93]
PSA: 0.00000
LogP: -0.03780
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  • C3A (cement component) CAS NO.12042-78-3

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Specification

The C3A (cement component), with its CAS registry number 12042-78-3, has the IUPAC name of dialuminum dicalcium oxygen(2-). With its molecular foumula of Al2Ca2O5, it has the formula weight of 270.19. For being a kind of white crystal powder, its product categories are including Inorganics. The production method is as below: prepare the raw material of aluminum acid sodium, calcium chloride and calcium hydroxide and then go through the process as the below chemical equation: 2NaAlO2+CaCl2→Ca(AlO2)2+2NaCl; Ca(AlO2)2+2Ca(OH)2+4H2O→3CaO·Al2O3·6H2O.
  
The characteristics of C3A (cement component) are as follows: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 0 Å2; (5)Exact Mass: 213.862832; (6)MonoIsotopic Mass: 213.862832; (7)Topological Polar Surface Area: 5; (8)Heavy Atom Count: 9; (9)Covalently-Bonded Unit Count: 9.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:[Al+3].[Al+3].[Ca+2].[Ca+2].[O-2].[O-2].[O-2].[O-2].[O-2]
(2)InChI:InChI=1/2Al.2Ca.5O/q2*+3;2*+2;5*-2
(3)InChIKey:HGCYUAJUOYGULZ-UHFFFAOYAB
(4)Std. InChI:InChI=1S/2Al.2Ca.5O/q2*+3;2*+2;5*-2 
(5)Std. InChIKey:HGCYUAJUOYGULZ-UHFFFAOYSA-N