5015-38-3,MFCD00012588
Catalog No.:AA003NVY

5015-38-3 | Barium 2-cyanoethylphosphate hydrate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$79.00   $55.00
- +
5g
98%
in stock  
$187.00   $131.00
- +
25g
98%
in stock  
$577.00 $404.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003NVY
Chemical Name:
Barium 2-cyanoethylphosphate hydrate
CAS Number:
5015-38-3
Molecular Formula:
C3H4BaNO4P
Molecular Weight:
286.3689
MDL Number:
MFCD00012588
SMILES:
N#CCCOP(=O)([O-])[O-].[Ba+2]
Properties
Properties
 
Form:
Solid  
MP:
>300°C  
Solubility:
1 M HCl: soluble0.25g/5mL, clear, colorless  
Storage:
Room Temperature;Inert atmosphere;  

Computed Properties
 
Complexity:
152  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  

Downstream Synthesis Route
110-86-1    5015-38-3    80681-26-1   
Phosphoricacid2-cyano-ethylester(2R,3R,4R,5R)-4-fluoro-5-(2-isobutyrylamino-6-oxo-1,6-dihydro-purin-9-yl)-2-(4-methoxy-phenyl)-diphenyl-methoxymethyl-tetrahydro-furan-3-ylester;compoundwithpyridine 

[1]Ikehara,Morio;Imura,Junko[Chemicalandpharmaceuticalbulletin,1981,vol.29,#9,p.2408-2412]

110-86-1    5015-38-3   
pyridiniumsaltofβ-cyanoethylphosphate 

[1]Gorlewska-Roberts;Green;Fares;Ambrosone;Kadlubar[EnvironmentalandMolecularMutagenesis,2002,vol.39,#2-3,p.184-192]

[2]Hansen,DennisJul;Manuguerra,Ilenia;Kjelstrup,MichaelBrondum;Gothelf,KurtVesterager[AngewandteChemie-InternationalEdition,2014,vol.53,#52,p.14415-14418][Angew.Chem.,2014,vol.126,#52,p.14643-14646,4]

[1]CurrentPatentAssignee:EXXONMOBILCORP-US4518534,1985,A

5015-38-3    121-44-8   
(2-cyanoethyl)phosphatetriethylammoniumsalt 

[1]Strenkowska,Malwina;Wanat,Przemyslaw;Ziemniak,Marcin;Jemielity,Jacek;Kowalska,Joanna[OrganicLetters,2012,vol.14,#18,p.4782-4785,4]Strenkowska,Malwina;Wanat,Przemyslaw;Ziemniak,Marcin;Jemielity,Jacek;Kowalska,Joanna[OrganicLetters,2012,vol.14,#18,p.4782-4785]

Literature
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Tags:5015-38-3 Molecular Formula|5015-38-3 MDL|5015-38-3 SMILES|5015-38-3 Barium 2-cyanoethylphosphate hydrate
Catalog No.: AA003NVY
5015-38-3,MFCD00012588
5015-38-3 | Barium 2-cyanoethylphosphate hydrate
Pack Size: 1g
Purity: 98%
in stock
$79.00 $55.00
Pack Size: 5g
Purity: 98%
in stock
$187.00 $131.00
Pack Size: 25g
Purity: 98%
in stock
$577.00 $404.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003NVY
Chemical Name: Barium 2-cyanoethylphosphate hydrate
CAS Number: 5015-38-3
Molecular Formula: C3H4BaNO4P
Molecular Weight: 286.3689
MDL Number: MFCD00012588
SMILES: N#CCCOP(=O)([O-])[O-].[Ba+2]
Properties
Form: Solid  
MP: >300°C  
Solubility: 1 M HCl: soluble0.25g/5mL, clear, colorless  
Storage: Room Temperature;Inert atmosphere;  
Complexity: 152  
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
Downstream Synthesis Route
110-86-1    5015-38-3    80681-26-1   
Phosphoricacid2-cyano-ethylester(2R,3R,4R,5R)-4-fluoro-5-(2-isobutyrylamino-6-oxo-1,6-dihydro-purin-9-yl)-2-(4-methoxy-phenyl)-diphenyl-methoxymethyl-tetrahydro-furan-3-ylester;compoundwithpyridine 

[1]Ikehara,Morio;Imura,Junko[Chemicalandpharmaceuticalbulletin,1981,vol.29,#9,p.2408-2412]

110-86-1    5015-38-3   
pyridiniumsaltofβ-cyanoethylphosphate 

[1]Gorlewska-Roberts;Green;Fares;Ambrosone;Kadlubar[EnvironmentalandMolecularMutagenesis,2002,vol.39,#2-3,p.184-192]

[2]Hansen,DennisJul;Manuguerra,Ilenia;Kjelstrup,MichaelBrondum;Gothelf,KurtVesterager[AngewandteChemie-InternationalEdition,2014,vol.53,#52,p.14415-14418][Angew.Chem.,2014,vol.126,#52,p.14643-14646,4]

5015-38-3    2212-88-6 

[1]CurrentPatentAssignee:EXXONMOBILCORP-US4518534,1985,A

5015-38-3    121-44-8   
(2-cyanoethyl)phosphatetriethylammoniumsalt 

[1]Strenkowska,Malwina;Wanat,Przemyslaw;Ziemniak,Marcin;Jemielity,Jacek;Kowalska,Joanna[OrganicLetters,2012,vol.14,#18,p.4782-4785,4]Strenkowska,Malwina;Wanat,Przemyslaw;Ziemniak,Marcin;Jemielity,Jacek;Kowalska,Joanna[OrganicLetters,2012,vol.14,#18,p.4782-4785]

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