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
