Tris(tetrabutylammonium) hydrogen pyrophosphate

ALDRICH/93397 - ≥97.0% (calc. on dry substance, T)

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

CAS Number: 76947-02-9
Empirical Formula (Hill Notation): C₄₈H₁₀₉N₃O₇P₂
Molecular Weight: 902.34
MDL Number: MFCD00210109
Linear Formula: [(CH₃CH₂CH₂CH₂)₄N⁺]₃[O=P(O^-)₂OP(=O)(O^-)OH]
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-93397-5G	5 g	$313.00 1/EA	Add To Favorites
45-93397-25G	25 g	$1250.00 1/EA	Add To Favorites

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Properties
Descriptions
Safety Info.
Basic Data

assay	≥97.0% (calc. on dry substance, T)
form	crystals
impurities	≤8% water
InChI	1S/3C16H36N.H4O7P2/c31-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-8(2,3)7-9(4,5)6/h35-16H2,1-4H3;(H2,1,2,3)(H2,4,5,6)/q3*+1;/p-3
InChI key	BMTUFQKYWWLCLC-UHFFFAOYSA-K
SMILES string	OP([O-])(=O)OP([O-])([O-])=O.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC
storage temp.	2-8°C

Application:	The Role of the Maleimide Ring System on the Structure-Activity Relationship of Showdomycin: Discusses unexpected triphosphorylation involving Tris(tetrabutylammonium) hydrogen pyrophosphate (P Rosenqvist et al. - European Journal of Organic Chemistry, 2022 ). Chemical Approaches to Inhibitors of Isoprenoid Biosynthesis: Mentions the reduction of ester group in the context of pyrophosphate chemistry (P Merino et al. - RSC Advances, 2017 ). Emissive Synthetic Cofactors: Involves Tris(tetrabutylammonium) hydrogen pyrophosphate in the synthesis of an ATP analog (J Feldmann, Y Li, Y Tor - Chemistry-A European Journal, 2019 ).
Other Notes:	Reagent for pyrophosphorylation; reaction of isoprenoid derivatives; Pyrophosphorylation of nucleosides; Triphosphorylation of nucleosides
Packaging:	5, 25 g in glass bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H315 - H319 - H335
Precautionary statements	P302 + P352 - P305 + P351 + P338
Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	≥97.0% (calc. on dry substance, T)
Storage Temp.	2-8°C
UNSPSC	12352116

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