YTTERBIUM(III) TRIFLATE HYDRATE, 99.90% structure

3D Mol Similar

YTTERBIUM(III) TRIFLATE HYDRATE, 99.90%

Iupac Name：trifluoromethanesulfonic acid;ytterbium;hydrate

CAS No.: 252976-51-5

Molecular Weight：638.25

Modify Date.: 2022-12-09 16:37

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1. Names and Identifiers

1.1 Name: YTTERBIUM(III) TRIFLATE HYDRATE, 99.90%
1.2 Synonyms: fonate hydrate Trifluoromethanesulfonic acid ytterbium salt, Ytterbium(III) triflate Ytterbium(III) trifL Ytterbium(III) triflate hydrateYtterbium(III) trifluoromethanesulfonate

1.3 CAS No.: 252976-51-5

1.4 CID: 16212606

1.5 Molecular Formula: C3H2F9O10S3Yb (isomer)

1.6 Inchi: BUJKNFNMGRYZBV-UHFFFAOYSA-K

1.7 InChkey: BUJKNFNMGRYZBV-UHFFFAOYSA-K

1.8 Canonical Smiles: O.FC(F)(F)S(=O)(=O)O[Yb](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F

1.9 Isomers Smiles: O.FC(F)(F)S(=O)(=O)O[Yb](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F

2. Properties

2.1 StorageTemp: Inert atmosphere,Room Temperature

3. Safety and Handling

3.1 Hazard Codes: Xi

3.1 Risk Statements: 36/37/38

3.1 Safety Statements: 26-36

3.1 RIDADR: UN 3261 8/PG 2

3.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/…if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Other Information

5.0 Chemical Properties: white crystalline powder

5.1 Uses: Ytterbium(III) trifluoromethanesulfonate hydrate is used to promote glycosidation of glycosyl fluorides and as a catalyst in the preparation of pyridine and quinoline derivatives.

5.2 General Description: Layer-by-layer assembly of 4-aminothiophenol and ytterbium(III)trifluoromethanesulfonate hydrate film has been investigated by atomic force microscopy (AFM). Bis(oxazolinyl)-pyridine-scandium(III) triflate complexes have been reported to catalyze the enantioselective Friedel-Crafts addition of various indoles.

6. Computational chemical data

Molecular Weight: 638.25g/mol
Molecular Formula: C₃H₂F₉O₁₀S₃Yb
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 641.8289809
Monoisotopic Mass: 641.8289809
Complexity: 580
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 4
Hydrogen Bond Acceptor Count: 19
Topological Polar Surface Area: 189
Heavy Atom Count: 26
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 5
CACTVS Substructure Key Fingerprint: AAADcYBAPcBgAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAQQACAAAAAAAABAAAAAAAIIAAAAAAHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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Ytterbium(III) triflate hydrate,99.9%