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
