5015-38-3

Name BARIUM 2-CYANOETHYLPHOSPHATE
CAS 5015-38-3
EINECS(EC#) 225-696-5
Molecular Formula C3H4BaNO4P
MDL Number MFCD00012588
Molecular Weight 286.37
MOL File 5015-38-3.mol
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Chemical Properties

Melting point  >300°C
solubility  1 M HCl: soluble0.25g/5mL, clear, colorless
Usage A phosphorylating agent with a protecting group sensitive to mild alkali, useful as an intermediate in the synthesis of nucleotides
BRN  5662807
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
InChIKey SFFRVKYTJRRUNW-UHFFFAOYSA-L
SMILES O.O.[Ba++].[O-]P([O-])(=O)OCCC#N
CAS DataBase Reference 5015-38-3(CAS DataBase Reference)
EPA Substance Registry System Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) (5015-38-3)

Safety Data

Hazard Codes  Xn
Risk Statements 
R20/22:Harmful by inhalation and if swallowed .
Safety Statements 
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  1
TSCA  Yes
HS Code  2931.90.9051
HazardClass  6.1
PackingGroup  III
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 4 Inhalation
Acute Tox. 4 Oral

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