acetonitrile; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; ruthenium(+1) cation; hexafluorophosphate

Basic Information

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CAS Number

99604-67-8

Molecular Formula

C16H25F6N3PRu

Molecular Weight

504.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

No data available

SMILES

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F[P-](F)(F)(F)(F)F.CC1=C(C)C(C(=C1C)[Ru+])(C)C.CC#N.CC#N.CC#N

InChI

InChI=1S/C10H16.3C2H3N.F6P.Ru/c1-6-7(2)9(4)10(5)8(6)3;3*1-2-3;1-7(2,3,4,5)6;/h6H,1-5H3;3*1H3;;/q;;;;-1;+1

InChIKey

IYEMDYLFXFMECZ-UHFFFAOYSA-N

LogP

7.94404

Complexity

284

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

air sensitive, store cold

Synonyms & References

English

TRIS-(ACETONITRILE)PENTAMETHYLCYCLOPENTADIENYLRUTHENIUM(II) HEXAFLUOROPHOSPHATE
Tris(acetonitrile)pentamethylcyclopentadienylruthenium(II)hexafluorophosphate,min.98%
Tris(acetonitrile)pentamethylcyclopentadienylruthenium(II) hexafluorophosphate, min. 98%
Tris(acetonitrile)pentaMethylcyclopentadienylrutheniuM(II) hexafluorophosphate,98%
PentaMethylcyclopentadienyltris (acetonitrile)rutheniuM(II)
TRIS(ACETONITRILE)PENTAMETHYLCYCLOPENTADIENYLRUTHENIUM (I) HEXAFLUOROPHOSPHATE
Tris(acetonitrile)pentamethylcyclopentadienylruthenium(i)hexafluorophosphate,min.
Tris(acetonitrile)(eta5-pentamethylcyclopentadienyl)ruthenium hexafluorophosphate
Pentamethylcyclopentadienyltris (acetonitrile)ruthenium(II)
acetonitrile,1,2,3,4,5-pentamethylcyclopenta-1,3-diene,ruthenium(1+),hexafluorophosphate
N-CBZ-4-OXO-D-PROLINE
Pentamethylcyclopentadienyltris (acetonitrile)ruthenium(II) hexafluorophosphate
[RuCp*(MeCN)3]PF6

MDL Number

MFCD04117715

FAQ

What regulatory guidelines apply to acetonitrile (CAS: 99604-67-8)?

Acetonitrile (CAS: 99604-67-8) is classified as a flammable liquid under the Globally Harmonized System (GHS) and is subject to strict safety and handling guidelines. In the European Union, it is regulated under REACH, and in the United States, it is covered by the Occupational Safety and Health Administration (OSHA) and the Environmental Protection Agency (EPA) regulations. Specific handling and storage guidelines must be adhered to ensure safety and compliance.

Are there alternatives to acetonitrile (CAS: 99604-67-8) in synthesis?

Yes, alternatives to acetonitrile (CAS: 99604-67-8) include other polar aprotic solvents like dimethyl sulfoxide (DMSO) or dimethylformamide (DMF). These alternatives can be used in various synthetic reactions depending on the specific requirements and reaction conditions. Additionally, water or other less toxic solvents may be considered for milder reactions.

What is the market or research trend for acetonitrile (CAS: 99604-67-8)?

The market for acetonitrile (CAS: 99604-67-8) is driven by its use in various industries, particularly in electronics, pharmaceuticals, and chemical synthesis. Research trends are shifting towards the development of more environmentally friendly solvents and the optimization of reaction conditions to minimize waste. Additionally, there is a growing interest in the use of acetonitrile in catalytic systems and in the purification of bioactive compounds.

How should waste containing acetonitrile (CAS: 99604-67-8) be handled?

Waste containing acetonitrile (CAS: 99604-67-8) should be collected in appropriate containers and stored separately to prevent contamination. The waste should be neutralized if necessary, then incinerated or disposed of through a professional hazardous waste disposal service. Environmental protection measures should include proper ventilation and the use of personal protective equipment (PPE) to ensure safety during waste handling and disposal processes.