hydroxynitroanthraquinone 1-hydroxy-4-nitroanthraquinone
structural formula
| business number | 01sb |
|---|---|
| molecular formula | c14h7no5 |
| molecular weight | 269.21 |
| label |
1-hydroxy-4-nitroanthraquinone |
numbering system
cas number:81-65-2
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
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): unsure
5. boiling point (ºc,normal pressure): uncertain
6. boiling point (ºc,5.2kpa): unsure
7. refractive index: uncertain
8. flash point (ºc): unsure
9. specific optical rotation (º): unsure
10. autoignition point or ignition temperature (ºc): unsure
11. vapor pressure (kpa,25ºc): unsure
12. 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: 67.09
2. molar volume (m3/mol）：169.3
3. isotonic specific volume (90.2k):507.1
4. surface tension (dyne/cm):80.4
5. polarizability（10-24cm3):26.59
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 0
5. number of tautomers: 4
6. topological molecule polar surface area 100
7. number of heavy atoms: 20
8. surface charge: 0
9. complexity: 457
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
mal style=”margin: 0cm 0cm 0pt 72.75pt; text-indent: -54.75pt; text-align: left; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt” align=left>3. isotonic specific volume (90.2k):507.1
4. surface tension (dyne/cm):80.4
5. polarizability（10-24cm3):26.59
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 0
5. number of tautomers: 4
6. topological molecule polar surface area 100
7. number of heavy atoms: 20
8. surface charge: 0
9. complexity: 457
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
