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| CAS No.: | 537-00-8 |
|---|---|
| Name: | CERIUM(III) ACETATE SESQUIHYDRATE, 99.9% (REO) |
| Molecular Structure: | |
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| Formula: | C2H4O2.1/3Ce |
| Molecular Weight: | 376.298 |
| Synonyms: | Aceticacid, cerium(3+) salt (8CI,9CI);Cerium acetate (6CI,7CI);Cerium triacetate;Cerium(III) acetate;Cerous acetate;AC1L1W15;Jsp003669; |
| EINECS: | 208-654-0 |
| Melting Point: | 308 °C |
| Boiling Point: | 117.1 °C at 760 mmHg |
| Flash Point: | 40 °C |
| Solubility: | Soluble in water. |
| Appearance: | white to yellow powder |
| PSA: | 120.39000 |
| LogP: | -3.73140 |
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Specification
The Cerium acetate with CAS registry number of 537-00-8 is also known as Aceticacid, cerium(3+) salt (8CI,9CI). The IUPAC name is Cerium(3+) triacetate. It belongs to product categories of Organic-metal salt. Its EINECS registry number is 208-654-0. In addition, the formula is C2H4O2.1/3Ce and the molecular weight is 106.75. This chemical should be stored in sealed containers in cool, dry place and away from oxidizing agents. It is used for automobile exhaust purification, and also used as catalyst and so on.
Physical properties about Cerium acetate are: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -2.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.73; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.3Å2; (13)Flash Point: 40 °C; (14)Enthalpy of Vaporization: 23.7 kJ/mol; (15)Boiling Point: 117.1 °C at 760 mmHg; (16)Vapour Pressure: 13.9 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: [Ce+3].O=C([O-])C.[O-]C(=O)C.[O-]C(=O)C
2. InChI: InChI=1/3C2H4O2.Ce/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
3. InChIKey: VGBWDOLBWVJTRZ-DFZHHIFOAR
4. Std. InChI: InChI=1S/3C2H4O2.Ce/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
5. Std. InChIKey: VGBWDOLBWVJTRZ-UHFFFAOYSA-K
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| human | TDLo | intravenous | 2mg/kg (2mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING GASTROINTESTINAL: OTHER CHANGES SKIN AND APPENDAGES (SKIN): SWEATING: OTHER | Journal of Clinical Investigation. Vol. 21, Pg. 447, 1942. |