BIS(2-METHYLALLYL)PALLADIUM CHLORIDE DIMER structure

3D Mol Similar

BIS(2-METHYLALLYL)PALLADIUM CHLORIDE DIMER

: Iupac Name：chloropalladium(1+);2-methanidylprop-1-ene; CAS No.: 12081-18-4; Molecular Weight：504.14; Modify Date.: 2023-04-28 06:27; Introduction: Catalyst for: &bull Asymmetric allylic alkylation reactions &bull Suzuki-Miyaura reactions &bull Reductive cleavage reactions &bull Reaction of alkenyloxiranes with carbon monoxide BIS(2-METHYLALLYL)PALLADIUM CHLORIDE DIMERSupplier View more+

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1. Names and Identifiers

: 1.1 Name; BIS(2-METHYLALLYL)PALLADIUM CHLORIDE DIMER; 1.2 Synonyms; (2-METHYLALLYL)PALLADIUM(II) CHLORIDE D& Bis(2-methylallyl)dipalladiumdichloride (6CI) Bis(2-methylallylpalladium chloride) Bis(chloro(h3-2-methallyl)palladium) Bis(chloro(h3-2-methyl-2-propenyl)palladium) Bis(chloro(h3-2-methylallyl)palladium) Bis(m-chloro(h3-2-methylallyl)palladium) Bis(m-chloro)bis(h3-2-methyl-2-propenyl)dipalladium Bis(p-methylallylpalladium(II)chloride) Chloro(2-methallyl)palladium Chloro(2-methylallyl)palladium(II) dimer, Dichlorobis(2-methylallyl)dipalladium Dichlorobis(2-methallyl)dipalladium Dichlorobis(2-methylallyl)dipalladium Dichlorobis(h3-2-methylallyl)dipalladium Dichlorobis(h3-methylallyl)dipalladium Di-m-chlorobis(h-2-methylallyl)dipalladium(II) NSC 270885 Nsc270885 Palladium(2+) chloride 2-methyl-2-propen-1-ide (1:1:1) Palladium, di-.mu.-chlorobis(2-methyl-.pi.-allyl)di- Palladium, di-m-chlorobis(2-methyl-p-allyl)di- (8CI) Palladium, di-m-chlorobis[(1,2,3-h)-2-methyl-2-propenyl]di- (9CI) Palladium,dichlorobis(2-methyl-p-allyl)di- (7CI); View all

1.3 CAS No.: 12081-18-4

1.4 CID: 71310360

1.5 Molecular Formula: C16H28Cl2Pd2 (isomer)

1.6 Inchi: InChI=1S/4C4H7.2ClH.2Pd/c4*1-4(2)3;;;;/h4*1-2H2,3H3;2*1H;;/q;;;;;;2*+1/p-2

1.7 InChIkey: MZAZSRRSLWXDKJ-UHFFFAOYSA-L

1.8 Canonical Smiles: CC(=C)C[Pd+]1(CC(C)=C)[Cl-][Pd+](CC(C)=C)(CC(C)=C)[Cl-]1

1.9 Isomers Smiles: CC(=C)[CH2-].CC(=C)[CH2-].Cl[Pd+].Cl[Pd+]

2. Properties

2.1 Density: 1.4±0.1 g/cm3 (Predicted)

2.1 Melting point: 168.2-174.0?°C

2.1 Boiling point: °Cat760mmHg

2.1 Refractive index: 1.699 (Predicted)

2.1 Flash Point: °C

2.1 Precise Quality: 501.96400

2.1 PSA: 0.00000

2.1 logP: 7.49940

2.1 Appearance: yellowPowder

2.2 Color/Form: yellow

2.3 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 Usage: Catalyst for: &bull Asymmetric allylic alkylation reactions &bull Suzuki-Miyaura reactions &bull Reductive cleavage reactions &bull Reaction of alkenyloxiranes with carbon monoxide BIS(2-METHYLALLYL)PALLADIUM CHLORIDE DIMERSupplier

4. Safety and Handling

4.1 Hazard Codes: Xi

4.1 Risk Statements: 36/37/38

4.1 Safety Statements: 26

4.1 Hazard Declaration: H315-H319-H335

4.1 RIDADR: NONH for all modes of transport

4.1 Caution Statement: P261-P305 + P351 + P338

4.1 WGK Germany: 3

5. 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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6. Other Information

6.0 Uses: Catalyst for: &bull Asymmetric allylic alkylation reactions &bull Suzuki-Miyaura reactions &bull Reductive cleavage reactions &bull Reaction of alkenyloxiranes with carbon monoxide

6.1 Uses: Catalyst for: &bull Asymmetric allylic alkylation reactions &bull Suzuki-Miyaura reactions &bull Reductive cleavage reactions &bull Reaction of alkenyloxiranes with carbon monoxide

6.2 Uses

Catalyst for:

Asymmetric allylic alkylation reactions
Suzuki-Miyaura reactions
Reductive cleavage reactions
Reaction of alkenyloxiranes with carbon monoxide

7. Computational chemical data

Molecular Weight: 504.14g/mol
Molecular Formula: C₁₆H₂₈Cl₂Pd₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 393.85463
Monoisotopic Mass: 391.85422
Complexity: 23.5
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 0
Heavy Atom Count: 12
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: 4
CACTVS Substructure Key Fingerprint: AAADccBwAAAGAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADACAAAACAAAAAACAAgBCAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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Bis(2-methylallyl)palladium(II) chloride dimer

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Price: 2446 USD/kilogram
Time: 2024/08/08

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Bis(2-methylallyl)dipalladium dichloride