Basic information
- CAS
14592-56-4- Standard SMILES
CC#N.CC#N.[Cl-].[Cl-].[Pd+2]- InChIKey
RBYGDVHOECIAFC-UHFFFAOYSA-L- Molecular formula
- C4H6Cl2N2Pd
- Average molar mass
- 259.43 g/mol
- Monoisotopic mass
- 257.89428
Overview
See also: Bis(acetonitrile)dichloropalladium (preferred).
Names & identifiers
- Preferred name
- Palladium(II)chloro-bis(acetonitrile)
- IUPAC
- bis(acetonitrile);palladium(2+);dichloride
- English name
- Bis(acetonitrile)dichloropalladium(II)
- Molecular formula
- C4H6Cl2N2Pd
- Molecular weight
- 259.43
Names & synonyms
C4H6Cl2N2PdPalladium(II)chloro-bis(acetonitrile)SCHEMBL79033acetonitrile;palladium(2+);dichlorideAKOS015900211F046131(MeCN)2PdCl2Palladium, bis(acetonitrile)dichloro-DICHLOROBIS(ACETONITRILE)PALLADIUM(II)bis(acetonitrile)dichloropalladiumBIS(ACETONITRILE)PALLADIUM(II) CHLORIDEBIS(ACETONITRILE)PALLADIUM(II) DICHLORIDE
Show more names
TRANS-BIS(ACETONITRILE)PALLADIUM(II) CHLORIDEe)dichLBis(acetonitriLBis(Acetonitrile)Pd(II)
Database identifiers
- CAS
14592-56-4- PubChem CID
- 84541
Properties
Computed structural properties
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 29.3
Physicochemical properties
- Melting point
- 300 °C · 300 °C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Soluble in acetonitrile, acetone, chloroform
- form
- Fine Crystalline Powder
- color
- Orange to rust-brown
- Water Solubility
- insoluble
- InChI
- InChI=1S/2C2H3N.2ClH.Pd/c2*1-2-3;;;/h2*1H3;2*1H;/q;;;;+2/p-2
- InChIKey
- RBYGDVHOECIAFC-UHFFFAOYSA-L
- SMILES
- C(#N)C.C(#N)C.[Pd](Cl)Cl
- CAS DataBase Reference
- 14592 · 14592-56-4(CAS DataBase Reference)
- UNSPSC Code
- 12161600 · 12161600
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331
- Precautionary statements
- 280 · P280-P301+P310+P330-P302+P352+P312-P304+P340+P311
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- No
- ridadr
- UN 3077 9/PG 3
- hs_code
- 28439090
- risk_code
- 23/24/25-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T,Xn
- safety_code
- 16-27-36/37-45-36-26
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301+H311+H331
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
- Precautionary statements
- P280-P301+P310+P330-P302+P352+P312-P304+P340+P311
Chemistry & industry
Applications
Usessuzuki reaction
UsesIt is used as a catalyst in an ether-directed aza-Claisen rearrangement. Also used in cyclization and cross-coupling reactions. It is applied for olefin isomerization, preparation of acetals and hemiacetal esters.
UsesCatalyst used in an ether-directed aza-Claisen rearrangement.
General DescriptionThis product has been enhanced for catalytic efficiency.
Preparation methods
PreparationBis(acetonitrile)palladium dichloride is prepared by reacting two acetonitrile ligands and palladium(II) chloride.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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