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Calcium trifluoromethanesulfonate

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Name

Calcium trifluoromethanesulfonate

EINECS 232-188-7
CAS No. 55120-75-7 Density N/A
PSA 131.16000 LogP 2.26440
Solubility Soluble in water. Melting Point 350 °C(lit.)
Formula C2CaF6O6S2 Boiling Point 162 °C at 760 mmHg
Molecular Weight 338.20 Flash Point N/A
Transport Information N/A Appearance greyish powder
Safety 26-27-36/37/39-45-36 Risk Codes 34-36/37/38-20/21/22
Molecular Structure Molecular Structure of 55120-75-7 (CALCIUM TRIFLUOROMETHANESULFONATE) Hazard Symbols CorrosiveC,HarmfulXn
Synonyms

Methanesulfonicacid, trifluoro-, calcium salt (9CI);Calcium bis(trifluoromethanesulfonate);Calcium ditriflate;Calcium triflate;Calcium trifluoromethanesulfonate;Calcium trifluoromethanesulfonate (1:2);

Article Data 8

Calcium trifluoromethanesulfonate Specification

The Calcium trifluoromethanesulfonate is an organic compound with the formula C2CaF6O6S2. The systematic name of this chemical is calcium bis(trifluoromethanesulfonate). With the CAS registry number 55120-75-7, it is also named as Methanesulfonic acid, 1,1,1-trifluoro-, calcium salt (2:1). The product's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. Besides, it is a greyish powder, which should be stored in a closed cool and dry place.

Physical properties about Calcium trifluoromethanesulfonate are: (1)ACD/LogP: -0.37; (2)ACD/LogD (pH 5.5): -3.87; (3)ACD/LogD (pH 7.4): -3.87; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 62.75 Å2; (11)Boiling Point: 162 °C at 760 mmHg; (12)Vapour Pressure: 1.14 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed and can cause burns. Please take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].FC(F)(F)S([O-])(=O)=O.FC(F)(F)S([O-])(=O)=O
(2)InChI: InChI=1/2CHF3O3S.Ca/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
(3)InChIKey: PUQLFUHLKNBKQQ-NUQVWONBAC
(4)Std. InChI: InChI=1S/2CHF3O3S.Ca/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
(5)Std. InChIKey: PUQLFUHLKNBKQQ-UHFFFAOYSA-L

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