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Bismuth(III) trifluoromethanesulfonate

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Name

Bismuth(III) trifluoromethanesulfonate

EINECS N/A
CAS No. 88189-03-1 Density N/A
PSA 196.74000 LogP 3.39660
Solubility N/A Melting Point 300 °C
Formula C3BiF9O9S3 Boiling Point 162 °C at 760 mmHg
Molecular Weight 674.2 Flash Point N/A
Transport Information N/A Appearance White powder
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 88189-03-1 (Bismuth(III) trifluoromethanesulfonate) Hazard Symbols IrritantXi
Synonyms

Methanesulfonicacid, trifluoro-, bismuth(3+) salt (9CI);Bismuth triflate;Bismuth tris(trifluoromethanesulfonate);Bismuth(3+) triflate;Bismuth(3+) trifluoromethanesulfonate;Bismuth(III)trifluoromethanesulfonate;Trifluoromethanesulfonic acid bismuth(3+) salt;

 

Bismuth(III) trifluoromethanesulfonate Specification

The systematic name of this chemical is bismuth(3+) tris(trifluoromethanesulfonate). With the CAS registry number 88189-03-1, it is also named as methanesulfonic acid, 1,1,1-trifluoro-, bismuth(3+) salt (3:1). The product's categories are Bismuth; Catalysis and Inorganic Chemistry; Chemical Synthesis. It is white powder which is hygroscopic. And this chemical can directly catalyze sulfonamide, carbamate and amide. It is also an alternative such as benzyl alcohol. Additionally, it should be sealed in the container which is fulled with nitrogen gas. And the container must be stored in the cool and dry place.  

The other characteristics of Bismuth(III) trifluoromethanesulfonate can be summarized as: (1)ACD/LogP: -0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4; (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: 62.75 Å2; (13)Vapour Pressure: 1.14 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: [BiH3+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.Bi/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
3. InChIKey: NYENCOMLZDQKNH-DFZHHIFOAI
4. Std. InChI: InChI=1S/3CHF3O3S.Bi/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
5. Std. InChIKey: NYENCOMLZDQKNH-UHFFFAOYSA-K

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