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5-Fluoro-2,4(1H,3H)-Pyrimidinedione 4-Oxime
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5-Fluoro-2,4(1H,3H)-Pyrimidinedione 4-Oxime

CAS: 18014-44-3

Ref. 3D-FF87570

Undefined sizeDiscontinued

Discontinued product. For inquiries about similar products, please fill out our form or email us at support@cymitquimica.com.


Product Information

Name:
5-Fluoro-2,4(1H,3H)-Pyrimidinedione 4-Oxime
Synonyms:
  • N(4)-hydroxy-5-fluorocytosine
  • 5-fluoro-6-(hydroxyamino)pyrimidin-2(1H)-one
Description:

The conformational and rotameric properties of 5-fluoro-2,4(1H,3H)-pyrimidinedione 4-oxime (5F-2,4(1H,3H)-PDO) have been investigated by molecular mechanics calculations. The stabilization of the tautomeric isomers was found to be due to the steric hindrance between the hydrogen atom attached to the nitrogen atom and the methyl group in position 2. The interactions between 5F-2,4(1H,3H)-PDO and thymidine were studied at different temperatures. The protonation state of 5F-2,4(1H,3H)-PDO has been determined experimentally by elemental analysis and nuclear magnetic resonance spectroscopy. Structural isomers were also characterized by 1D and 2D NMR spectroscopy.

Notice:
Our products are intended for lab use only. For any other use, please contact us.
Brand:
Biosynth
Long term storage:
Notes:

Chemical properties

Molecular weight:
145.09 g/mol
Formula:
C4H4FN3O2
Purity:
Min. 95%
InChI:
InChI=1S/C4H4FN3O2/c5-2-1-6-4(9)7-3(2)8-10/h1,10H,(H2,6,7,8,9)
InChI key:
InChIKey=AGMXBUQUJJTPLT-UHFFFAOYSA-N
SMILES:
O=c1ncc(F)c(NO)[nH]1
MDL:
Melting point:
Boiling point:
Flash point:
Density:
Concentration:
EINECS:
Merck:
HS code:

Hazard Info

UN Number:
EQ:
Class:
H Statements:
P Statements:
Forbidden to fly:
Hazard Info:
Packing Group:
LQ:

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