dihydrothymine

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:696-04-8

mdl number:mfcd00023159

einecs number:211-787-7

rtecs number:none

brn number:81983

pubchem number:24857735

physical property data

1. characteristics: white solid.

2. density (g/ml,25/4℃): undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc): 263-266

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific optical rotation (º): undetermined

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. oil and water (octanol/logarial value of the partition coefficient of water: undetermined

17. explosion upper limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: undetermined .

toxicological data

none yet

ecological data

usually not harmful to water, do not discharge materials into the surrounding environment without government permission.

molecular structure data

1. molar refractive index: 30.11

2. molar volume（m³/ mol）：111.5

3. isotonic ratio（90.2k）：265.4

4. surface tension（dyne/cm）：32.1

5. dielectric constant:

6. dipole moment（10 ^-24cm³)：

7. polarizability: 11.93

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.6

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

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4. number of rotatable chemical bonds: 0

5. number of tautomers: 8

6. topological molecule polar surface area 58.2

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 155

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

keep away from oxides, heat and open flames.

storage method

store in an airtight container and place store in a cool, dry place. store away from oxidizing agents.

synthesis method

purpose

none yet

resource:allhdi.com