2,4-dihydroxyquinoline
structural formula
| business number | 01xa |
|---|---|
| molecular formula | c9h7no2 |
| molecular weight | 161.16 |
| label |
4-hydroxy-2-(1h)-quinolinone, 2,4-quinolinediol, 2,4-quinolinediol |
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