5-phenylhydantoin
structural formula
| business number | 020h |
|---|---|
| molecular formula | c9h8n2o2 |
| molecular weight | 176.17 |
| label |
5-phenylhydantoin |
numbering system
cas number:89-24-7
mdl number:mfcd00037881
einecs number:201-890-5
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. properties: white crystal or powder.
2. density (g/ml, 25/4℃): undetermined
3. relative vapor density (g/ml, air=1): undetermined
4. melting point (ºc): 127
5. boiling point (ºc, normal pressure): 287
6. boiling point (ºc, 5.2kpa): undetermined
7. refractive index: undetermined
8. flash point (ºc): undetermined
9. specific rotation (º): undetermined
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10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (kpa, 25ºc): undetermined
12. saturated vapor pressure (kpa, 60ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. log value of oil-water (octanol/water) partition coefficient: undetermined
17. explosion upper limit (%, v /v): undetermined
18. lower explosion limit (%, v/v): undetermined
19. solubility: soluble in hot water, slightly soluble in ethanol and benzene , insoluble in ether, petroleum ether and cold water.
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 45.23
2. molar volume (cm3/mol): 137.9
3. isotonic specific volume (90.2k ): 359.1
4. surface tension (dyne/cm): 45.9
5. polarizability (10-24cm3): 17.93
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 1
5. number of tautomers: 8
6. topological molecule polar surface area 58.2
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 234
10. number of isotope atoms: 0
11. determining the atomic configurationnumber of stereocenters: 0
12. uncertain number of stereocenters of atoms: 1
13. determined number of stereocenters of chemical bonds: 0
14. uncertain number of stereocenters of chemical bonds: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
this product should be sealed and stored in a cool, dry place away from light.
synthesis method
none
purpose
microanalytical determination of cyanide. drug and dye intermediates. determination of vitamin b12. testing of cobalt, copper, iron, nickel and silver.
