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Merck
CN

28310

2-Cyanoethyl phosphate barium salt dihydrate

≥95.0%

Synonym(s):

Barium 2-cyanoethyl phosphate, Phosphoric acid 2-cyanoethyl ester barium salt

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About This Item

Linear Formula:
NCCH2CH2OPO3Ba · 2H2O
CAS Number:
5015-38-3
Molecular Weight:
322.40
EC Number:
225-696-5
UNSPSC Code:
12352100
PubChem Substance ID:
57648299
Beilstein/REAXYS Number:
5662807
MDL number:
MFCD00150047

Key Documents

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InChI key

SFFRVKYTJRRUNW-UHFFFAOYSA-L

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

SMILES string

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

assay

≥95.0%

solubility

1 M HCl: soluble 0.25 g/5mL, clear, colorless

Quality Level

200

Application

2-Cyanoethyl phosphate barium salt dehydrate has been used in the chemical synthesis of 3′- and 5′-monophosphate derivatives of O6-alkyl-2′-deoxyguanosine.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

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

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBJ0096V
BCBH7921V
BCBD3797V
1346830
011411/1

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V L Wilson et al.
Cancer research, 48(8), 2156-2161 (1988-04-15)
The 32P-postlabeling procedure, developed originally by Randerath and coworkers, has been modified for the detection and analytical quantitation of O6-alkyl-2'-deoxyguanosine residues in DNA. Chromatographic techniques were developed to resolve individually the normal deoxyribonucleotide-3'-monophosphates and the O6-alkyldeoxyguanosine-3'-monophosphates by high-pressure liquid chromatography.

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