4-Nitrophthalamide

Structural formula

Business number	020Q
Molecular formula	C8H4N2O4
Molecular weight	192.13
label	4-Nitrophthalimide

• 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:89-40-7

MDL number:MFCD00005884

EINECS number:201-905-5

RTECS number:TI5625000

BRN number:180224

PubChem number:24860025

Physical property data

1. Character: yellow needle-shaped or Leaf-like crystals.

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

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

4. Melting point ( ºC): 202℃(193～195℃)

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<SPAN style="FONT-SIZE: 9pt ; FONT-FAMILY: 宋体; mso-bidi-font-family: Arial; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-font: Undetermined

18. Lower explosion limit (%,V/V): Not OK

19. Solubility: soluble in alcohol , acetic acid and acetone, insoluble in hot water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 43.97

2. Molar Volume (m³/mol）：119.3

3. isotonic specific volume (90.2K):348.1

4. Surface Tension (dyne/cm):72.2

5. Polarizability（10^-24cm³):17.43

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: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 3

6. Topological molecule polar surface area 92

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 309

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

None

Storage method

This product should be kept sealed.

Synthesis method

None

Purpose

For organic synthesis.

SIZE: 9pt; FONT-FAMILY: 宋体; mso-bidi-font-family: Arial; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial”>Surface Tension (dyne/cm):72.2

5. Polarizability（10^-24cm³):17.43

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: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 3

6. Topological molecule polar surface area 92

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 309

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

None

Storage method

This product should be kept sealed.

Synthesis method

None

Purpose

For organic synthesis.