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| CAS No.: | 76089-77-5 |
|---|---|
| Name: | CERIUM(III) TRIFLUOROMETHANESULFONATE |
| Article Data: | 7 |
| Molecular Structure: | |
|
|
|
| Formula: | CHF3O3S.1/3Ce |
| Molecular Weight: | 587.331 |
| Synonyms: | Methanesulfonicacid, trifluoro-, cerium(3+) salt (9CI);Cerium triflate;Cerium trifluoromethanesulfonate;Cerium tris(trifluoromethanesulfonate);Cerium(III) triflate;Cerium(III)trifluoromethanesulfonate;Cerium(III) trifluoromethylsulfonate; |
| EINECS: | -0 |
| Density: | 1.7 |
| Melting Point: | >300℃ |
| Boiling Point: | 162 °C at 760 mmHg |
| Solubility: | Soluble in water. |
| Hazard Symbols: |
 C Xi
|
| Risk Codes: | 34 |
| Safety: | 45-36/37/39-25 |
| PSA: | 196.74000 |
| LogP: | 3.39660 |
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- Total:38 Page 1 of 1 1
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Specification
The CAS register number of Cerium(III) trifluoromethanesulfonate is 76089-77-5. It also can be called as methanesulfonic acid, 1,1,1-trifluoro-, cerium(3+) salt (3:1) and the systematic name about this chemical is cerium(3+) tris(trifluoromethanesulfonate).
Physical properties about Cerium(III) trifluoromethanesulfonate are: (1)ACD/LogP: -0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.87; (4)ACD/LogD (pH 7.4): -3.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 62.75Å2; (13)Boiling Point: 162 °C at 760 mmHg; (14)Vapour Pressure: 1.14 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is causes burns. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) People must wear suitable protective clothing, gloves and eye/face protection and avoid contact with eyes.
People can use the following data to convert to the molecule structure.
1.SMILES: [Ce+3].FC(F)(F)S([O-])(=O)=O.FC(F)(F)S([O-])(=O)=O.FC(F)(F)S([O-])(=O)=O
2.InChI: InChI=1/3CHF3O3S.Ce/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
3.InChIKey: PHSMPGGNMIPKTH-DFZHHIFOAS
4.Std. InChI: InChI=1S/3CHF3O3S.Ce/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3