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146234

Sigma-Aldrich

Barium 2-cyanoethylphosphate hydrate

Synonym(s):

2-Cyanoethyl phosphate barium salt hydrate, 3-(Phosphonooxy)propanenitrile barium salt hydrate

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About This Item

Linear Formula:
NCCH2CH2OPO3Ba · xH2O
CAS Number:
207121-42-4
Molecular Weight:
286.37 (anhydrous basis)
EC Number:
225-696-5
MDL number:
MFCD00150047
UNSPSC Code:
12352300
PubChem Substance ID:
24848769
NACRES:
NA.22

reaction suitability

core: barium
reagent type: catalyst

SMILES string

[Ba++].[H]O[H].[O-]P([O-])(=O)OCCC#N

InChI

1S/C3H6NO4P.Ba.2H2O/c4-2-1-3-8-9(5,6)7;;;/h1,3H2,(H2,5,6,7);;2*1H2/q;+2;;/p-2

InChI key

SFFRVKYTJRRUNW-UHFFFAOYSA-L

Application

Reactant for NMR structural characterization of substrates bound to the active site of N-Acetylglucosaminyltransferase V

Other Notes

Contains barium acetate

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H332

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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