Phthalamide

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:88-96-0

MDL number:MFCD00025478

EINECS number:201-870-6

RTECS number:CZ2200000

BRN number:1868220

PubChem ID:None

Physical property data

1. Properties: colorless fine crystals.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 228

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor Pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: When melted, boiling aqueous solution or ethanol solution produces ammonia and phthalimide, the presence of acid can promote its decomposition. Easily soluble in hot organic solvents, slightly soluble in cold water and methanol.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 44.11

2. Molar volume (cm³/mol): 126.8

3. Isotonic specific volume (90.2K ): 356.1

4. Surface tension (dyne/cm): 62.1

5. Polarizability (10-24cm3): 17.48

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecule polar surface area 86.2

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 181

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

Colorless fine crystals. When melted, boiling aqueous or ethanol solutions produces ammonia and phthalimide, which can be decomposed in the presence of acid. Easily soluble in hot organic solvents, slightly soluble in cold water and methanol. Melting point 228℃.

Storage method

Should be kept sealed.

Synthesis method

Purpose

Organic synthesis.