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Merck
CN

692263

PEPPSI™-SONO-sp2

98%

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About This Item

Empirical Formula (Hill Notation):
C32H40Cl3N3Pd · 0.4CuI
Molecular Weight:
755.64
PubChem Substance ID:
329761479
UNSPSC Code:
12352300

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InChI

1S/5C27H38N2.5C5H4ClN.10ClH.2Cu.2HI.5Pd/c5*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;5*6-5-2-1-3-7-4-5;;;;;;;;;;;;;;;;;;;/h5*9-16,18-21H,17H2,1-8H3;5*1-4H;10*1H;;;2*1H;;;;;/q;;;;;;;;;;;;;;;;;;;;2*+1;;;5*+2/p-12

InChI key

HHZQXZQIQVCMBL-UHFFFAOYSA-B

SMILES string

[Cu]I.[Cu]I.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Clc1cccnc1.Clc2cccnc2.Clc3cccnc3.Clc4cccnc4.Clc5cccnc5.CC(C)c6cccc(C(C)C)c6N7CN(C=C7)c8c(cccc8C(C)C)C(C)C.CC(C)c9cccc(C(C)C)c9N%10CN(C=C%10)c%11c(cccc%11C(C)C)C(C)C.CC(C)c%12cccc(C(C)C)c%12N%13CN(C=C%13)c%14c(cccc%14C(C)C)C(C)C.CC(C)c%15cccc(C(C)C)c%15N%16CN(C=C%16)c%17c(cccc%17C(C)C)C(C)C.CC(C)c%18cccc(C(C)C)c%18N%19CN(C=C%19)c%20c(cccc%20C(C)C)C(C)C

assay

98%

form

powder

reaction suitability

reagent type: catalyst
core: palladium

Application

Catalyst formulation of PEPPSI™-IPr and CuI (1:0.4 molar ratio) for Sonogashira coupling of terminal alkynes with sp2 centers.

Legal Information

US Patent 7250510
PEPPSI is a trademark of Total Synthesis Ltd.

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT RE 1 Oral

target_organs

Thyroid

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

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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Certificates of Analysis (COA)

Lot/Batch Number
04903KH

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