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Key Documents

676187

Sigma-Aldrich

Di-tert-butylneopentylphosphine

95%

Synonym(s):

Bis(1,1-dimethylethyl)(2,2-dimethylpropyl)phosphine

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About This Item

Empirical Formula (Hill Notation):
C13H29P
CAS Number:
Molecular Weight:
216.34
MDL number:
UNSPSC Code:
12352001
PubChem Substance ID:
NACRES:
NA.22

Assay

95%

form

solid

reaction suitability

reaction type: Buchwald-Hartwig Cross Coupling Reaction
reaction type: Heck Reaction
reaction type: Hiyama Coupling
reaction type: Negishi Coupling
reaction type: Sonogashira Coupling
reaction type: Stille Coupling
reaction type: Suzuki-Miyaura Coupling
reagent type: ligand
reaction type: Cross Couplings

refractive index

n20/D 1.478

bp

40 °C/0.1 mmHg

density

0.839 g/mL at 25 °C

functional group

phosphine

storage temp.

−20°C

SMILES string

CC(C)(C)CP(C(C)(C)C)C(C)(C)C

InChI

1S/C13H29P/c1-11(2,3)10-14(12(4,5)6)13(7,8)9/h10H2,1-9H3

InChI key

JBGICSFDKZAWFJ-UHFFFAOYSA-N

Application

Reactant for:
  • Highly active palladium complexes
  • Synthesis of organometallic compounds of iridium and rhodium

Ligand for cross coupling of aryl bromides and chlorides

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Pyr. Sol. 1 - Skin Corr. 1B

Storage Class Code

4.2 - Pyrophoric and self-heating hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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