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669997

Sigma-Aldrich

Δ-TRISPHAT tetrabutylammonium salt

≥98.5% (31P-NMR)

Synonym(s):

[Tetrabutylammonium] [Δ-tris(tetrachloro-1,2-benzenediolato)phosphate(V)]

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About This Item

Empirical Formula (Hill Notation):
C18Cl12O6P · C16H36N
CAS Number:
301687-57-0
Molecular Weight:
1011.06
MDL number:
MFCD10566957
UNSPSC Code:
12352101
PubChem Substance ID:
329760365
NACRES:
NA.22

Assay

≥98.5% (31P-NMR)

form

solid

optical activity

[α]/D -370±10°, c = 0.1 in ethanol

storage temp.

2-8°C

SMILES string

CCCC[N+](CCCC)(CCCC)CCCC.Clc1c(Cl)c(Cl)c2O[P-]345(Oc2c1Cl)Oc6c(Cl)c(Cl)c(Cl)c(Cl)c6O3.Clc7c(Cl)c(Cl)c(O4)c(O5)c7Cl

InChI

1S/C18Cl12O6P.C16H36N/c19-1-2(20)8(26)14-13(7(1)25)31-37(32-14,33-15-9(27)3(21)4(22)10(28)16(15)34-37)35-17-11(29)5(23)6(24)12(30)18(17)36-37;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h;5-16H2,1-4H3/q-1;+1

InChI key

GCGVBYHPNKLLAV-UHFFFAOYSA-N

General description

Δ-TRISPHAT tetrabutylammonium salt, containing a hexacoordinated phosphorus anion, is a chiral NMR solvating and asymmetry-inducing reagent.

Application

Chiral anion mediated asymmetric chemistry

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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C3-Symmetric Trinuclear Molybdenum Cluster Sulfides: Configurational Stability, Supramolecular Stereocontrol, and Absolute Configuration Assignment.
Frantz R, et al.
Inorganic Chemistry, 46(25), 10717-10723 (2007)
Application of TRISPHAT anion as NMR chiral shift reagent.
Lacour Je, et al.
Chemical Communications (Cambridge, England), 23, 2285-2286 (1997)
Bimacrocyclic concave N-heterocyclic carbenes (NHCs): Synthesis, structure and application in catalyses.
Winkelmann O and Luning U.
Supramolecular Chemistry, 21(3-4), 223-229 (2009)
Jerome Lacour et al.
Organic & biomolecular chemistry, 3(1), 15-19 (2004-12-17)
Chemical reactions and processes often involve chiral, yet racemic, cationic reagents, intermediates or products. To afford instead non racemic or enantiopure compounds, an asymmetric ion pairing of the cations with enantiopure anions can be considered--the counter ions behaving as asymmetric
Chiral ion mediated asym. chemistry
Lacour, J.
Chimia, 56, 672-675 (2002)
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