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