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  • 771333 - Diethyl 4-(trifluoromethyl)benzylphosphonate

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771333 Sigma-Aldrich

Diethyl 4-(trifluoromethyl)benzylphosphonate

97%

  • CAS Number 99578-68-4

  • Empirical Formula (Hill Notation) C12H16F3O3P

  • Molecular Weight 296.22

  •  MDL number MFCD09836731

  •  PubChem Substance ID 329767489

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, Catalysis and Inorganic Chemistry, Chemical Synthesis, Fluorinated Building Blocks, Organic Fluorinated Building Blocks,
assay   97%
refractive index   n20/D 1.456
density   1.227 g/mL at 25 °C
functional group   phosphine
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
SMILES string   O=P(OCC)(OCC)CC1=CC=C(C(F)(F)F)C=C1
InChI   1S/C12H16F3O3P/c1-3-17-19(16,18-4-2)9-10-5-7-11(8-6-10)12(13,14)15/h5-8H,3-4,9H2,1-2H3
InChI key   NTQKMIQYHZLRSW-UHFFFAOYSA-N

Description

Packaging

1 g in glass bottle

Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
3
Flash Point(F) 
>230 °F
Flash Point(C) 
>110 °C

Documents

Certificate of Analysis (COA)

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