9-anthracenecarboxylic acid
Structural formula
| Business number | 07FJ |
|---|---|
| Molecular formula | C15H10O2 |
| Molecular weight | 222.24 |
| label |
9-anthracenecarboxylic acid, Anthracene-9-carboxylic acid, 9-anthracenecarboxylic acid, 9-carboxylic acid anthracene, 9-Anthroic Acid, 9-Carboxyanthracene, Dye intermediates |
Numbering system
CAS number:723-62-6
MDL number:MFCD00001257
EINECS number:211-964-9
RTECS number:CB8764000
BRN number:1875336
PubChem number:24891384
Physical property data
1. Characteristics: Light yellow needle-shaped crystal. 2. Density ( g/mL,25/4℃): Undetermined 3. Relative vapor density (g/mL,Air=1): Undetermined 4. Melting point ( ºC): 214(decomposition) 5. Boiling point ( ºC,Normal pressure): Undetermined 6. Boiling point ( ºC,5.2kPa): Undetermined 7. Refractive index: Undetermined 8. Flashpoint (ºC): Undetermined 9. Specific optical rotation (º): Undetermined 10. Autoignition point or ignition temperature (ºC): Not OK 11. Vapor pressure (kPa,25ºC): Undetermined 12. Saturation vapor pressure (kPa,60ºC): Undetermined 13. heat of combustion (KJ/mol): Undetermined 14. Critical temperature (ºC): Undetermined 15. Critical Pressure (KPa): Undetermined 16. Oil and water (octanol/water) partition coefficient pair Value: Undetermined 17. Explosion upper limit (%,V/V): Undetermined 18. Lower explosion limit (%,V/V): Not OK 19. Solubility:Soluble in ethanol, slightly soluble in hot water, insoluble in cold water.
Toxicological data
Acute toxicity:Rat abdominal LD50: 750 mg /kg
Ecological data
Normally hazardous to water. Do not discharge material into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index:68.86
2. Molar volume（m3/mol） ：170.1
3. Isotonic specific volume（90.2K）：477.0
4. Surface tension（dyne/cm）：61.7
5. Dielectric constant:
6. Dipole moment(10-24cm3)：
7. Polarizability:27.30
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: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 277
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 under normal temperature and pressure, avoid contact with oxides
Storage method
Keep container tightly sealed and store in a tight container In a cool, dry place
Synthesis method
None
Purpose
Used as dye intermediate