Poly(vinylphosphonic acid)

C2H5O3PCAS 1746-03-8108.03 g/mol

Open in Covalent MOL file
POOHOH
AlkenePhosphonate

Properties

Molecular formula
C2H5O3P
Molar mass
108.03 g/mol
Exact mass
107.9976 Da
Density
1.398 g/mL (at 20 °C)
Boiling point
97–98 °C (at 2 Torr)
logP
0.31Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1746-03-8
SMILES
C=CP(=O)(O)O
InChIKey
ZTWTYVWXUKTLCP-UHFFFAOYSA-N
InChI
InChI=1S/C2H5O3P/c1-2-6(3,4)5/h2H,1H2,(H2,3,4,5)
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 11.50 (br s, 2H), 5.70 (dd, J = 16.8, 10.8 Hz, 1H), 5.03 (dd, J = 16.8, 1.4 Hz, 1H), 4.97 (dd, J = 10.8, 1.4 Hz, 1H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 140.2, 130.0.
[M + H]+
[M + H]+ Calcd for C2H6O3P 109.0049
[M + Na]+
[M + Na]+ Calcd for C2H5NaO3P 130.9869
[M − H]−
[M − H]− Calcd for C2H4O3P 106.9904
Elemental analysis
Anal. Calcd for C2H5O3P: C, 22.24; H, 4.67.

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Names and synonyms

8 names
  • Vinylphosphonic acid
  • Phosphonic acid, P-ethenyl-
  • Phosphonic acid, vinyl-
  • Phosphonic acid, ethenyl-
  • P-Ethenylphosphonic acid
  • Ethenephosphonic acid
  • Ethylenephosphonic acid
  • ITC 467

Work with Poly(vinylphosphonic acid)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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