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CAS RN: 80049-61-2 | Product Number: T3079

Tris(acetonitrile)cyclopentadienylruthenium(II) Hexafluorophosphate

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Product Number T3079
Molecular Formula / Molecular Weight C__1__1H__1__4F__6N__3PRu = 434.29  
Physical State (20 deg.C) Solid
Storage Temperature 0-10°C
Store Under Inert Gas Store under inert gas
Condition to Avoid Air Sensitive,Heat Sensitive
CAS RN 80049-61-2
Reaxys Registry Number 14432805
PubChem Substance ID 253661000
MDL Number


Appearance Light yellow to Brown powder to crystal
Elemental analysis(Nitrogen) 8.70 to 10.10 %
Properties (reference)
Melting Point 149 °C(dec.)
Pictogram Pictogram
Signal Word Warning
Hazard Statements H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.
H315 : Causes skin irritation.
H319 : Causes serious eye irritation.
Precautionary Statements P261 : Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P264 : Wash skin thoroughly after handling.
P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.
P337 + P313 : If eye irritation persists: Get medical advice/ attention.
P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water. Call a POISON CENTER/doctor if you feel unwell.
P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.
Related Laws:
Transport Information:
HS Number 2843909000
An anti-Markovnikov Hydration Reaction of Terminal Alkynes Using Ruthenium Complexes


Representative procedure for the hydration: A 4 mL vial is charged sequentially with 5,5’-bis(trifluoromethyl)-2,2’-bipyridine (2, 2.9 mg, 10 µmol, 0.020 eq.), tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate (1, 4.4 mg, 10 µmol, 0.020 eq.), a mixture of water/N-methyl-2-pyrrolidinone (1:4 v/v, 2.5 mL, deoxygenated by sparging with nitrogen), and (2-fluorophenyl)acetylene (60.0 mg, 500 µmol, 1 eq.). The vial is sealed with a Teflon-lined cap. The mixture is stirred for 8 h at 25 ℃. The product mixture is transferred to a separatory funnel and diluted with ethyl acetate (20 mL). The organic layer is washed with brine (3 x 20 mL). The ethyl acetate layer is concentrated. The residue obtained is purified by flash-column chromatography (eluting with 1 % ethyl acetate–hexanes - 2 % ethyl acetate-hexanes) to provide (2-fluorophenyl)acetaldehyde as a clear, colorless oil (56.6 mg,82%).


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