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Merck
CN

689602

4-(Triphenylphosphonio)butane-1-sulfonate

99%

Synonym(s):

Triphenyl-(4-sulfo-butyl)-phosphonium inner salt

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About This Item

Empirical Formula (Hill Notation):
C22H23O3PS
CAS Number:
Molecular Weight:
398.46
PubChem Substance ID:
UNSPSC Code:
12352002
Beilstein/REAXYS Number:
4018406
MDL number:
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SMILES string

[O-]S(=O)(=O)CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3

InChI

1S/C22H23O3PS/c23-27(24,25)19-11-10-18-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2

InChI key

RKQKXPDRWYNUGZ-UHFFFAOYSA-N

assay

≥98.5% (HPLC), 99%

form

powder

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

impurities

≤0.5% water

anion traces

bromide (Br-): ≤10 mg/kg, chloride (Cl-): ≤100 mg/kg, fluoride (F-): ≤10 mg/kg, nitrate (NO3-): ≤10 mg/kg, phosphate (PO43-): ≤10 mg/kg, sulfate (SO42-): ≤10 mg/kg

functional group

phosphine

Application

Reactant for synthesis of:
  • Sulfonyl-functionalized ionic liquids
  • Prostaglandins containing a sulfo group

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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