Bis(benzonitrile)palladium chloride (HCID 498840)

Names & identifiers

Preferred name: Bis(benzonitrile)palladium chloride
IUPAC: bis(benzonitrile);dichloropalladium
English name: Bis(benzonitrile)palladium chloride
Molecular formula: C14H10Cl2N2Pd
Molecular weight: 383.57

Names & synonyms

Bis(benzonitrile)palladium chlorideBis(benzonitrile)dichloropalladiumPalladium, bis(benzonitrile)dichloro-RefChem:568989238-085-3EINECS 238-085-3NSC 16996714220-64-5Bis(benzonitrile)palladium(II) chlorideBis(benzonitrile)palladium(II)chlorideBis(benzonitrile)dichloropalladium(II)PdCl2(PhCN)2

Show more names

Pd(PhCN)2Cl2TRANS-BIS(BENZONITRILE)DICHLOROPALLADIUM(II)Bis(benzonitrile)palladiuM(II)Bis(benzonitriL

Bis(benzonitrile)palladium dichlorideDichlorobis(benzonitrile)palladium(II)Bis(benzonitrile)palladium(II) DichloridePalladium(II)chloro-bis(benzonitrile)Bis(benzonitrile)-palladium(II)chlorideDichlorobis(benzonitrile)palladiumBis(Benzonitrile)palladium (II) chloridebenzonitrile; dichloropalladium

Database identifiers

CAS: 14220-64-5
PubChem CID: 498840
EC Number: 238-085-3

Properties

Computed structural properties

Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 106

Physicochemical properties

Melting point: 131 °C · 131 °C(lit.)
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Soluble in acetone, chloroform
form: Crystalline Powder
color: Orange to brown
Water Solubility: insoluble
Hydrolytic Sensitivity: 4 · 4: no reaction with water under neutral conditions
BRN: 3981730 · 3981730
Exposure limits: 25 mg/m3 · NIOSH: IDLH 25 mg/m3
InChI: InChI=1S/2C7H5N.2ClH.Pd/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
InChIKey: WXNOJTUTEXAZLD-UHFFFAOYSA-L
SMILES: C1(C#N)=CC=CC=C1.C1(C#N)=CC=CC=C1.[Pd](Cl)Cl
CAS DataBase Reference: 14220 · 14220-64-5(CAS DataBase Reference)
UNSPSC Code: 12161600 · 12161600
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS07
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319-H302-H312-H332
Precautionary statements: 280 h-P301+P312a-P304+P340-P321-P501a-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501 · P280h-P301+P312a-P304+P340-P321-P501a-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn
Risk Statements: 20 · 20/21-23/24/25
Safety Statements: 22 · 22-24/25-23-45-36/37-27-20-9-4
RIDADR: 3439 · UN3439
WGK Germany: 3 · 3
F: 9 · 9
TSCA: No
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 28439090 · 28439090
Storage Class: 11 · 11 - Combustible Solids
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Palladium, bis(benzonitrile)dichloro-

Palladium, bis(benzonitrile)dichloro-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Palladium, bis(benzonitrile)dichloro-: Human health tier I assessment

Hazard Classes and CategoriesAcute Tox. 3 (66.7%)

Safety data

F: 9
PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: No
ridadr: UN3439
hs_code: 28439090
risk_code: 20/21-23/24/25
Signal word: Danger
Symbol(GHS): GHS06,GHS07
hazard_code: Xn
safety_code: 22-24/25-23-45-36/37-27-20-9-4
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H301+H311+H331-H315-H319-H302-H312-H332
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P280h-P301+P312a-P304+P340-P321-P501a-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501

Chemistry & industry

Applications · 4 items

Usessuzuki reaction

UsesCatalyst for greener amine synthesis from terminal olefins by Wacker oxidation followed by transfer hydrogenation of the resultant imine.

UsesBis(benzonitrile)palladium(II) chloride can be used as a catalyst:For greener amine synthesis from terminal olefins by Wacker oxidation, followed by transfer hydrogenation of the resultant imine.In cross-coupling reactions and α-O-glycosidation.Formal anti-Markovnikov hydroamination of terminal olefins

General DescriptionThis product has been enhanced for catalytic efficiency.