4-nitrophthalamide

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: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.