CAS 42196-31-6 Palladium(II) trifluoroacetate (HCID 2733347)

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Basic information

CAS: 42196-31-6
Standard SMILES: O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Pd+2]
InChIKey: PBDBXAQKXCXZCJ-UHFFFAOYSA-L
Molecular formula: C4F6O4Pd
Average molar mass: 332.45 g/mol
Monoisotopic mass: 331.87356

Names & identifiers

Preferred name: Palladium(II) trifluoroacetate
IUPAC: palladium(2+);bis(2,2,2-trifluoroacetate)
English name: PALLADIUM(II) TRIFLUOROACETATE
Molecular formula: C4F6O4Pd
Molecular weight: 332.45

Names & synonyms

Palladium(II) trifluoroacetate42196-31-6DTXSID50369856RefChem:367834DTXCID60320892628-066-1Palladium(II) 2,2,2-trifluoroacetatePALLADIUM TRIFLUOROACETATEMFCD00013204palladium(2+);2,2,2-trifluoroacetateTrifluoroacetic acid palladium(II) saltC4F6O4Pd

Show more names

Pd(CF3COO)2bis(2,2,2-trifluoroacetoxy)palladiumadium(II) trifLuoroacetatePalladium(Ⅱ)TrifluoroacetatePalldium (II)TrifluoroacetatePalladium(II)Trifluoroacetate>

palladium(2+) ion ditrifluoroacetatePD(TFA)2Palladium(2+) bis(trifluoroacetate)PALLADIUM(2+) DITRIFLUOROACETATEPalladium(II)trifluoroacetatepalladium(II)trifluoro-acetateSCHEMBL204190palladium bis(trifluoroacetate)

Database identifiers

CAS: 42196-31-6
PubChem CID: 2733347
DTXSID: DTXSID50369856
EC Number: 628-066-1
Nikkaji

Properties

Computed structural properties

Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 10
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 77

Physicochemical properties

Melting point: 220 °C · ~220 °C
storage temp.: Inert atmosphere,Room Temperature
solubility: Soluble in diethyl ether and acetone. Insoluble in benzene, chloroform and trifluoroacetic acid.
form: Powder
color: Brown
Sensitive: Hygroscopic
Hydrolytic Sensitivity: 4 · 4: no reaction with water under neutral conditions
InChI: 1S/2C2HF3O2.Pd/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
InChIKey: WEJWWPJAIXRLIJ-UHFFFAOYSA-M
SMILES: FC(F)(F)C(=O)O[Pd]OC(=O)C(F)(F)F
CAS DataBase Reference: 42196 · 42196-31-6(CAS DataBase Reference)
UNSPSC Code: 12352300 · 12352300
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

Safety data

F: 3-10
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: No
hs_code: 28439000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Storage Class

Chemistry & industry

Applications · 2 items

UsesPalladium(II) Trifluoroacetate is a pallaium salt of Trifluoroacetic Acid (T786035), a solvent used in a variety of organic synthesis and chemical processes. Also used in the synthesis of anticancer agents as well as phospholipase D inhibitors.

UsesApplication Guide for Palladium Catalyzed Cross-Coupling Reactions