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537-00-8

Basic Information
CAS No.: 537-00-8
Name: CERIUM(III) ACETATE SESQUIHYDRATE, 99.9% (REO)
Article Data: 12
Molecular Structure:
Molecular Structure of 537-00-8 (CERIUM(III) ACETATE SESQUIHYDRATE, 99.9% (REO))
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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  • cerium acetate CAS NO.537-00-8  CAS NO.537-00-8

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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.