9-anthracenecarboxylic acid

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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

resource:allhdi.com