Structural formula
| Business number | 038X |
|---|---|
| Molecular formula | C14H8ClNO2 |
| Molecular weight | 257.67 |
| label |
Anthraquinones |
Numbering system
CAS number:117-11-3
MDL number:None
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: Powder
2. Density (g/mL,20℃） : Undetermined
3. Relative vapor density (g/mL,Air =1): Undetermined
4. Melting point (ºC): 210-215
5. Boiling point (ºC,normal pressure): Undetermined
6. Boiling point (ºC, KPa): Undetermined
7. Refractive index: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. 11. Vapor pressure (mmHg, ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
Slightly harmful to water.
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.4
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 5
6. Topological molecule polar surface area 60.2
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 384
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
Stable at normal temperature and pressure, avoid contact with Strong oxidizing agentContact.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and water sources. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
None
style=”FONT-SIZE: 9pt; FONT-FAMILY: 宋体; mso-font-kerning: 0pt; mso-bidi-font-family: Arial”>Lower explosion limit (%,V/V ): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
Slightly harmful to water.
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.4
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 5
6. Topological molecule polar surface area 60.2
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 384
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
Stable at normal temperature and pressure, avoid contact with Strong oxidizing agentContact.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and water sources. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
None
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