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| CAS No.: | 74974-61-1 |
|---|---|
| Name: | Aluminum trifluoromethanesulfonate |
| Molecular Structure: | |
|
|
|
| Formula: | C3AlF9O9S3 |
| Molecular Weight: | 474.18 |
| Synonyms: | Trifluoromethanesulphonic acid aluminium salt; |
| Melting Point: | 300 °C |
| Boiling Point: | 162 °C at 760 mmHg |
| Solubility: | Insoluble in water. |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi,  C
|
| Risk Codes: | 34-36/37/38 |
| Safety: | 26-36/37/39-45-36 |
| Transport Information: | UN 3261 |
| PSA: | 196.74000 |
| LogP: | 3.73410 |
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Specification
The IUPAC name of Aluminum trifluoromethanesulfonate is Aluminum trifluoromethanesulfonate. With the CAS registry number 74974-61-1, it is also named as Trifluoromethanesulphonic acid aluminium salt. The product's category is Metallorganics. Besides, it is white powder which should be stored in a tightly closed container in a cool and dry place. And the place should be kept away from oxidizing agents, water and soda. In addition, its molecular formula is C3AlF9O9S3 and molecular weight is 474.19.
The other characteristics of Aluminum trifluoromethanesulfonate can be summarized as: (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)Rotatable Bond Count: 0; (12)Exact Mass: 473.837611; (13)MonoIsotopic Mass: 473.837611; (14)Topological Polar Surface Area: 197; (15)Heavy Atom Count: 25; (16)Complexity: 145; (17)Melting point: 300 °C; (18)Boiling Point: 162 °C at 760 mmHg; (19)Vapour Pressure: 1.14 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: Aluminum trifluoromethanesulfonate is irritating to eyes, respiratory system and skin. And it may cause burns. Please wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES:[Al+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.Al/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
(3)InChIKey:FKOASGGZYSYPBI-DFZHHIFOAP
(4)Std. InChI:InChI=1S/3CHF3O3S.Al/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
(5)Std. InChIKey:FKOASGGZYSYPBI-UHFFFAOYSA-K