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Merck

93397

Tris(tetrabutylammonium) hydrogen pyrophosphate

≥97.0% (calc. on dry substance, T)

Synonym(s):

Pyrophosphoric acid tris(tetrabutylammonium) salt, Tetrabutylammonium pyrophosphate (3:1)

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About This Item

Linear Formula:
[(CH3CH2CH2CH2)4N+]3[O=P(O-)2OP(=O)(O-)OH]
CAS Number:
Molecular Weight:
902.34
UNSPSC Code:
12352116
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
4632762
Assay:
≥97.0% (calc. on dry substance, T)
Form:
crystals
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Product Name

Tris(tetrabutylammonium) hydrogen pyrophosphate, ≥97.0% (calc. on dry substance, T)

InChI

1S/3C16H36N.H4O7P2/c3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-8(2,3)7-9(4,5)6/h3*5-16H2,1-4H3;(H2,1,2,3)(H2,4,5,6)/q3*+1;/p-3

SMILES string

OP([O-])(=O)OP([O-])([O-])=O.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC

InChI key

BMTUFQKYWWLCLC-UHFFFAOYSA-K

assay

≥97.0% (calc. on dry substance, T)

form

crystals

impurities

≤8% water

functional group

amine
phosphate

storage temp.

2-8°C

Quality Level

Application

Other Notes

Reagent for pyrophosphorylation; reaction of isoprenoid derivatives; Pyrophosphorylation of nucleosides; Triphosphorylation of nucleosides

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


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The Journal of Organic Chemistry, 51, 4768-4768 (1986)
A.B. Woodside et al.
Organic Syntheses, 66, 211-211 (1988)
V.J. Davisson et al.
The Journal of Organic Chemistry, 52, 1794-1794 (1987)
Synthesis of allylic and homoallylic isoprenoid pyrophosphates.
V J Davisson et al.
Methods in enzymology, 110, 130-144 (1985-01-01)
F. Seela et al.
Helvetica Chimica Acta, 74, 554-554 (1991)

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