Basic information
- Standard SMILES
CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd]- InChIKey
MXQOYLRVSVOCQT-UHFFFAOYSA-N- Molecular formula
- C24H54P2Pd
- Average molar mass
- 511.1 g/mol
- Monoisotopic mass
- 510.27356
Names & identifiers
- Preferred name
- Bis(tri-tert-butylphosphine)palladium(0)
- IUPAC
- palladium;bis(tritert-butylphosphane)
- English name
- Bis(tri-tert-butylphosphine)palladium(0)
- Molecular formula
- C24H56P2Pd
- Molecular weight
- 513.08
Names & synonyms
Show more names
Database identifiers
- CAS
53199-31-8- PubChem CID
- 2734558
- DTXSID
DTXSID80370359- EC Number
- 640-284-9
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- storage temp.
- -20 °C · -20°C
- form
- Crystals
- color
- Off-white to orange-brown
- Water Solubility
- insoluble
- Sensitive
- Light, Air & Moisture Sensitive
- InChI
- InChI=1S/2C12H27P.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;/h2*1-9H3;/q;;-2/p+2
- InChIKey
- XULQKWNZCKOVSU-UHFFFAOYSA-P
- SMILES
- P(C(C)(C)C)(C(C)(C)C)(C(C)(C)C)[Pd]P(C(C)(C)C)(C(C)(C)C)C(C)(C)C
- CAS DataBase Reference
- 53199 · 53199-31-8(CAS DataBase Reference)
- UNSPSC Code
- 12161600 · 12161600
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- TSCA
- No
- HS Code
- 28439000 · 28439000
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Danger
H228 (69.7%): Flammable solid [Danger Flammable solids];H251 (66.7%): Self-heating; may catch fire [Danger Self-heating substances and mixtures];H302+H312+H332 (66.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (75.8%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (75.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (97%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (97%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (75.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (27.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (66.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (66.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P210, P235, P240, P241, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 33 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- wgk
- 3
- tsca
- No
- hs_code
- 28439000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesCatalyst for Suzuki coupling on a multisubstituted sp 3 -carbon (eq. 1) Catalyst for Stille coupling reaction of aryl chlorides 2 (eq. 2) Catalyst for Negishi coupling reaction 3 (eq. 3) Catalyst for Heck coupling to form tetrasubstituted olefins 4 (eq. 4) Catalyst for Buchwald-Hartwig amination of aryl halide 5 (eq. 5) Catalyst for carbonylation of aryl halides with carbamoylsilanes 6 (eq. 6) t -Bu 3 P) 2 catalyst.
UsesBis(tri-tert-butylphosphine)palladium(0) is used in Coupling reactions, Heck couplings. It acts as a palladium catalyst for reductive carbonylation.
General DescriptionThis product has been enhanced for catalytic efficiency.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
Related reactions
Linked notes
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