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Yttrium(III) trifluoromethanesulfonate

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Name

Yttrium(III) trifluoromethanesulfonate

EINECS N/A
CAS No. 52093-30-8 Density 1.7
PSA 196.74000 LogP 3.39660
Solubility Soluble in water Melting Point N/A
Formula C3F9O9S3Y Boiling Point 162 °C at 760 mmHg
Molecular Weight 536.11 Flash Point N/A
Transport Information N/A Appearance white crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 52093-30-8 (YTTRIUM(III) TRIFLUOROMETHANESULFONATE) Hazard Symbols IrritantXi
Synonyms

yttrium tris(trifluoromethanesulfonate);methanesulfonic acid, 1,1,1-trifluoro-, yttrium(3+) salt (3:1);Trifluoromethanesulfonic acid yttrium(III) salt;Yttrium (III) trifluoromethanesulphonate;Yttrium triflate;

 

Yttrium(III) trifluoromethanesulfonate Specification

The Yttrium(III) trifluoromethanesulfonate, with the CAS registry number 52093-30-8, has the systematic name of yttrium tris(trifluoromethanesulfonate). It is a kind of white crystalline powder, and belongs to the following product categories: Y (Yttrium) Compounds; Catalysts for Organic Synthesis; Classes of Metal Compounds; Homogeneous Catalysts; Metal Triflates; Synthetic Organic Chemistry; Transition Metal Compounds; Trifluoromethanesulfonate. And the molecular formula of the chemical is C3F9O9S3Y.

The characteristics of Yttrium(III) trifluoromethanesulfonate are as followings: (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: 62.75 Å2; (13)Boiling Point: 162 °C at 760 mmHg; (14)Vapour Pressure: 1.14 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Y+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.Y/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
(3)InChIKey: JPJIEXKLJOWQQK-DFZHHIFOAV

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