ChemicalBook--->CAS DataBase List--->76947-02-9

76947-02-9

76947-02-9 Structure

76947-02-9 Structure
IdentificationBack Directory
[Name]

PYROPHOSPHORIC ACID TRIS(TETRABUTYLAMMONIUM) SALT
[CAS]

76947-02-9
[Synonyms]

TETRABUTYLAMMONIUM PYROPHOSPHATE (3:1)
Tris(tetrabutylammonium) pyrophosphate
Tris(tetra-N-butylammonium)diphosphate
TRIS(TETRABUTYLAMMONIUM) HYDROGEN PYROPHOSPHATE
PYROPHOSPHORIC ACID TRIS(TETRABUTYLAMMONIUM) SALT
Tris(tetra-n-butylamonium) hydrogen pyrophosphate
tris(tetrabutylazanium)?hydrogen?(phosphonooxy)phosphonate
Tris(tetrabutylaMMoniuM) hydrogen pyrophosphate >=97.0% (calc. on dry substance, T)
Tris(tetrabutylammonium) hydrogen pyrophosphate,Pyrophosphoric acid tris(tetrabutylammonium) salt, Tetrabutylammonium pyrophosphate (3:1)
[Molecular Formula]

C16H37NO7P2(-2)
[MDL Number]

MFCD00210109
[MOL File]

76947-02-9.mol
[Molecular Weight]

417.42
Chemical PropertiesBack Directory
[Melting point ]

145 - 148°C
[storage temp. ]

2-8°C
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Light Yellow
[BRN ]

4632762
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C16H36N.H4O7P2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-8(2,3)7-9(4,5)6/h5-16H2,1-4H3;(H2,1,2,3)(H2,4,5,6)/q+1;/p-3
[InChIKey]

BMTUFQKYWWLCLC-UHFFFAOYSA-K
[SMILES]

[N+](CCCC)(CCCC)(CCCC)CCCC.O(P(O)([O-])=O)P([O-])([O-])=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[F ]

3-10
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Description]

Tris(tetrabutylammonium) hydrogen pyrophosphate is a reagent used for pyrophosphorylation, reactions involving isoprenoid derivatives, and the pyrophosphorylation and triphosphorylation of nucleosides.
Tris(tetrabutylammonium) hydrogen pyrophosphate. A new reagent for the preparation of allylic pyrophosphate esters
[Chemical Properties]

White Crystalline Powder
[Uses]

Phosphorylating reagent.
[Application]

Tris(tetrabutylammonium) hydrogen pyrophosphate was used for:
Reagent for pyrophosphorylation
reaction of isoprenoid derivatives
Pyrophosphorylation of nucleosides
Triphosphorylation of nucleosides
[General Description]

Tris(tetrabutylammonium) hydrogen pyrophosphate is a triphosphate that is used as a nucleophile in organic synthesis. It reacts with isopropyl alcohol to form the corresponding cyclic adducts, which can be isolated as the corresponding acetonitrile salts. Tris(tetrabutylammonium) hydrogen pyrophosphate is also used as an intermediate for the synthesis of other molecules, such as geranyl, and provides a predictable means of synthesizing isotopomers of these molecules. This molecule may be prepared by reacting ammonium bicarbonate with chloride and then adding isopropyl alcohol to the mixture.
Spectrum DetailBack Directory
[Spectrum Detail]

Tris(tetrabutylammonium) hydrogen pyrophosphate(76947-02-9)1HNMR
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