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Methanesulfonic acid,1,1,1-trifluoro-, neodymium(3+) salt (3:1) (34622-08-7)

Identification
Name:Methanesulfonic acid,1,1,1-trifluoro-, neodymium(3+) salt (3:1)
Synonyms:Methanesulfonicacid, trifluoro-, neodymium(3+) salt (9CI);Neodymium perfluoromethanesulfonate;Neodymium triflate;Neodymium tris(trifluoromethanesulfonate);Neodymium(3+)triflate;Neodymium(III) triflate;Neodymium(III) trifluoromethanesulfonate;Trifluoromethanesulfonic acid neodymium(3+) salt;
CAS:34622-08-7
Molecular Formula: C3F9NdO9S3
Molecular Weight: 591.45
InChI: InChI=1/3CHF3O3S.Nd/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
Molecular Structure: (C3F9NdO9S3) Methanesulfonicacid, trifluoro-, neodymium(3+) salt (9CI);Neodymium perfluoromethanesulfonate;Neodym...
Properties
Boiling Point: 162 °C at 760 mmHg
Density:1.7 g/mL at 20 °C
Appearance:light purple crystalline powder
Specification:

The IUPAC name of Neodymium(III) trifluoromethanesulfonate is Neodymium(3+); trifluoromethanesulfonate. With the CAS registry number 34622-08-7, it is also named as Methanesulfonic acid,1,1,1-trifluoro-, neodymium(3+) salt (3:1). The product's categories are stable lewis acids in aqueous media, synthetic organic chemistry, transition metal compounds and so on, its molecular formula is C3F9NdO9S3 and its molecular weight is 591.45. In addition, this chemical is light purple crystalline powder, and should be stored in a cool and dry place, you should keep the container sealed and ensure that the workplaces have good ventilation or exhaust.

The other characteristics of Neodymium(III) 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 Donor: 0; (10)H-Bond Acceptor: 18; (11)Rotatable Bond Count: 0; (12)Exact Mass: 588.763791; (13)MonoIsotopic Mass: 588.763791; (14)Topological Polar Surface Area: 197; (15)Heavy Atom Count: 25; (16)Complexity: 145; (17)Freely Rotating Bonds: 0; (18)Density: 1.7 g/mL at 20 °C; (19)Boiling Point: 162 °C at 760 mmHg; (20)Vapour Pressure: 1.14 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: Neodymium(III) trifluoromethanesulfonate is irritating to eyes, respiratory system and skin. So when you use it, please wear suitable protective clothing. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:[Nd+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.Nd/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
(3)InChIKey:WYRSPTDNOIZOGA-DFZHHIFOAZ
(4)Std. InChI:InChI=1S/3CHF3O3S.Nd/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
(5)Std. InChIKey:WYRSPTDNOIZOGA-UHFFFAOYSA-K

Safety Data
Hazard Symbols Xi: Irritant
 

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