4-Nitrophthalamide
Structural formula
| Business number | 020Q |
|---|---|
| Molecular formula | C8H4N2O4 |
| Molecular weight | 192.13 |
| label |
4-Nitrophthalimide |
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.
