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Merck
CN

135259

(3-Bromopropyl)triphenylphosphonium bromide

98%

Synonym(s):

NSC 84074

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About This Item

Linear Formula:
Br(CH2)3P(C6H5)3Br
CAS Number:
3607-17-8
Molecular Weight:
466.19
NACRES:
NA.22
PubChem Substance ID:
24848072
UNSPSC Code:
12352101
EC Number:
222-770-9
MDL number:
MFCD00011866
Assay:
98%
Form:
powder

Key Documents

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InChI key

ZAHUZZUGJRPGKW-UHFFFAOYSA-M

InChI

1S/C21H21BrP.BrH/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H/q+1;/p-1

SMILES string

[Br-].BrCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3

assay

98%

Quality Level

200

form

powder

reaction suitability

reaction type: C-C Bond Formation

mp

228-230 °C (lit.)

functional group

bromo, phosphine

Related Categories

Application

Reactant involved in:
  • Synthesis of functionalized polyurethanes using cationic ring-opening polymerization and click chemistry
  • Semipinacol rearrangement and direct arylation
  • Olefination of benzaldehydes
  • C-H activation / cycloisomerization
  • Intramolecular dehydrobromination
  • Cycloisomerizations of bromodienes and enynes

pictograms

Exclamation mark
GHS07

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

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Certificates of Analysis (COA)

Lot/Batch Number
0000444185
0000444185
0000218033
0000218033
0000173744

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E W Czerwinski et al.
Acta crystallographica. Section C, Crystal structure communications, 44 ( Pt 10), 1862-1864 (1988-10-15)
C21H21BrP+.Br-, Mr = 464.2, monoclinic, P2(1)/c, a = 11.165(2), b = 10.160(2), c = 17.614(3)A, beta = 104.99(1) degree, V = 1930.08 A3, Z = 4, Dx = 1.597 g cm-3, graphite-monochromatized Cu K alpha radiation, lambda = 1.5418 A

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