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| CAS No.: | 13450-84-5 |
|---|---|
| Name: | GADOLINIUM(III) CHLORIDE HEXAHYDRATE |
| Molecular Structure: | |
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|
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| Formula: | Cl3GdH12O6 |
| Molecular Weight: | 371.7 |
| Synonyms: | Gadolinium trichloride hexahydrate; |
| EINECS: | 233-386-6 |
| Density: | 2.42 g/mL at 25 °C(lit.) |
| Melting Point: | 609℃ |
| Boiling Point: | 100 °C at 760 mmHg |
| Solubility: | soluble in water. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 55.38000 |
| LogP: | 1.68270 |
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Specification
The Gadolinium chloride(GdCl3), hexahydrate (8CI,9CI), with the CAS registry number of 13450-84-5, is also known as Gadolinium trichloride hexahydrate. It belongs to the product categories of Catalysis and Inorganic Chemistry; Chemical Synthesis; Gadolinium Salts; GadoliniumMetal and Ceramic Science; Salts. Its EINECS registry number is 233-386-6. Its molecular formula is Cl3GdH12O6 and molecular weight is 371.7. What's more, its IUPAC name is Gadolinium(3+) trichloride hexahydrate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.
Physical properties about the Gadolinium chloride(GdCl3), hexahydrate (8CI,9CI) are: (1)ACD/LogP: -1.38; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 9.23 ?2; (7)Enthalpy of Vaporization: 40.65 kJ/mol; (8)Boiling Point: 100 °C at 760 mmHg; (9)Vapour Pressure: 24.5 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].[Cl-].[Cl-].[Gd+3].O.O.O.O.O.O
(2) InChI: InChI=1/3ClH.Gd.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
(3) InChIKey: PNYPSKHTTCTAMD-DFZHHIFOAB
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 669mg/kg (669mg/kg) | Toxicology and Applied Pharmacology. Vol. 63, Pg. 461, 1982. Link to PubMed | |
| mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | AJNR, American Journal of Neuroradiology. Vol. 4, Pg. 1041, 1983. |