1,8-Dihydroxy-4,5-dinitro-9,10-anthraquinone 1,8-Dihydroxy-4,5-dinitro-9,10-anthraquinone
Structural formula
| Business number | 01S9 |
|---|---|
| Molecular formula | C14H6N2O8 |
| Molecular weight | 330.21 |
| label |
None yet |
Numbering system
CAS number:81-55-0
MDL number:MFCD00019149
EINECS number:201-360-3
RTECS number:CB6700000
BRN number:None
PubChem number:24874279
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):≥ 294℃
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. Saturated vapor pressure (kPa,60ºC): Unsure): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility: Uncertain
Toxicological data
1, acute toxicity
Mouse intravenousLD50:180 mg/kg;
2, teratogenicity
Salmonella: 10ug/plate
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 75.52
2. Molar volume (m3/mol）：179.6
3. isotonic specific volume (90.2K):579.4
4. Surface Tension (dyne/cm):108.2
5. Polarizability（10-24cm3):29.93
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 8
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 9
6. Topological molecule polar surface area 166
7. Number of heavy atoms: 24
8. Surface charge: 0
9. Complexity: 549
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
This product should be sealed and stored in a dry and dark place.
Synthesis method
None yet
Purpose
Used for synthetic dyes.
lang=EN-US style=”FONT-SIZE: 9pt; FONT-FAMILY: Arial; mso-fareast-font-family: Arial”>2. Molar volume ( m3/mol):179.6
3. isotonic specific volume (90.2K):579.4
4. Surface Tension (dyne/cm):108.2
5. Polarizability（10-24cm3):29.93
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 8
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 9
6. Topological molecule polar surface area 166
7. Number of heavy atoms: 24
8. Surface charge: 0
9. Complexity: 549
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
This product should be sealed and stored in a dry and dark place.
Synthesis method
None yet
Purpose
Used for synthetic dyes.
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Synthesis method
None yet
Purpose
Used for synthetic dyes.
