Tris(tetrabutylammonium) hydrogen pyrophosphate

HCID 11115639CAS 76947-02-9

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Grundinformationen

Standard-SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=P([O-])([O-])OP(=O)([O-])O
InChIKey: BMTUFQKYWWLCLC-UHFFFAOYSA-K
Summenformel: C48H109N3O7P2
Durchschnittliche Molmasse: 902,3 g/mol

Namen und Bezeichner

Bevorzugter Name: Tris(tetrabutylammonium) hydrogen pyrophosphate
IUPAC: [hydroxy(oxido)phosphoryl] phosphate;tris(tetrabutylazanium)
Englischer Name: Tris(tetrabutylammonium) hydrogen pyrophosphate
Summenformel: C16H37NO7P2(-2)
Molmasse: 417.42

Namen und Synonyme

76947-02-9Tris(tetrabutylammonium) hydrogen pyrophosphateRefChem:900380629-331-4MFCD00210109Pyrophosphoric acid tris(tetrabutylammonium) saltPYROPHOSPHORICACIDTRIS(TETRABUTYLAMMONIUM)SALTtris(tetra-n-butylammonium) hydrogen pyrophosphatetetrabutylammonium hydrogendiphosphate[hydroxy(oxido)phosphoryl] phosphate;tetrabutylazaniumAKOS037646249AS-67606

Weitere Namen anzeigen

tris(tetrabutylazanium)Tris(tetra-N-butylammonium)diphosphateTris(tetrabutylammonium) pyrophosphateTri (tetrabutylammonium) hydrogen pyrophosphateTris(tetra-n-butylamonium) hydrogen pyrophosphatetris(tetrabutylazanium)?hydrogen?(phosphonooxy)phosphonate

tris(tetrabutylazanium) hydrogen (phosphonatooxy)phosphonateTetrabutylammonium pyrophosphate (3:1)TBA pyrophosphateTris(tetrabutylammonium) Pyrophosphate; Tris(N,N,N-tributyl-1-butanaminium) DiphosphateA932311SCHEMBL288042C48H109N3O7P2tetrabutylammonium hydrogen diphosphate

Datenbank-Bezeichner

CAS: 76947-02-9
PubChem CID: 11115639
EC Number: 629-331-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 133 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 37
Schwere Atome: 60
Formalladung: 0
Komplexität: 270

Physikochemische Eigenschaften

Schmelzpunkt: 145 · 145 - 148°C
storage temp.: 2 · 2-8°C
Löslichkeit: Methanol (Slightly), Water (Slightly)
Aggregatzustand: Solid
Farbe: White to Light Yellow
BRN: 4632762 · 4632762
Stabilität: 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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 3-10
wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungTris(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

VerwendenPhosphorylating reagent.