2,4-dihydroxyquinoline

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:86-95-3

mdl number:mfcd00006744

einecs number:201-711-0

rtecs number:fg7300000

brn number:124854

pubchem number:24899203

physical property data

1. physical property data

1. character: uncertain

2. density (g/ml,25/4℃): unsure

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

4. melting point (ºc):300

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

6. boiling point (ºc,5.2kpa): unsure

7. refractive index: uncertain

8. flash point (ºc): unsure

9. specific rotation (º): unsure

10. autoignition point or ignition temperature (ºc): unsure

11. vapor pressure (kpa,25ºc): unsure

log value of water) partition coefficient: uncertain

17. explosion limit (%,v/v): unsure

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

19. solubility: uncertain

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 45.94

2. molar volume (m³/mol）：113.6

3. isotonic specific volume (90.2k):335.2

4. surface tension (dyne/cm):75.7

5. polarizability（10^-24cm³):18.21

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.7

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: 15

6. topological molecule polar surface area 49.3

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 235

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

an style=”font-size: 9pt; font-family: 宋体; mso-ascii-font-family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>molar volume ( m³/mol): 113.6

3. isotonic specific volume (90.2k):335.2

4. surface tension (dyne/cm):75.7

5. polarizability（10^-24cm³):18.21

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.7

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 0

5. number of tautomers: 15

6. topological molecule polar surface area 49.3

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 235

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet