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| CAS No.: | 17272-45-6 |
|---|---|
| Name: | LANTHANUM CHLORIDE, HEXAHYDRATE |
| Molecular Structure: | |
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| Formula: | Cl3H12LaO6 |
| Molecular Weight: | 353.36 |
| Synonyms: | Lanthanumtrichloride hexahydrate;Lanthanum chloride (LaCl3), hexahydrate; |
| Melting Point: | 91°C (dec.) |
| Boiling Point: | 100 °C at 760 mmHg |
| Solubility: | 4.6147 ± 0.0056mol/kg (25°C) [RAR87a] |
| Risk Codes: | 41-43-51/53 |
| Safety: | 26-36/37/39-61 |
| PSA: | 55.38000 |
| LogP: | 1.68270 |
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Specification
The Lanthanum chloride(LaCl3), hexahydrate (8CI,9CI), with the CAS registry number 17272-45-6, has the systematic name of lanthanum chloride hydrate (1:3:6). It is mainly used in preparation of petroleum cracking catalysts. And the molecular formula of the chemical is Cl3H12LaO6.
The characteristics of Lanthanum chloride(LaCl3), hexahydrate (8CI,9CI) are as followings: (1)ACD/LogP: -1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -1.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 9.23 Å2; (11)Enthalpy of Vaporization: 40.65 kJ/mol; (12)Boiling Point: 100 °C at 760 mmHg; (13)Vapour Pressure: 24.5 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].[Cl-].[Cl-].[La+3].O.O.O.O.O.O
(2)InChI: InChI=1/3ClH.La.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
(3)InChIKey: CWDUIOHBERXKIX-DFZHHIFOAV