2,5-diethylnitrobenzene

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:119-23-3

mdl number:mfcd00007100

einecs number:204-308-8

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. character: undetermined

2. density (g/ml,25℃): undetermined

3. relative vapor density (g/ml,air =1): undetermined

4. melting point ( ºc):48-51

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc, 13mmhg): 169

7. refractive index: undetermined

8. flashpoint (ºc): undetermined

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg,ºc): undetermined

12. saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of the partition coefficient for water: undetermined

17. explosion upper limit (%,v/v): undetermined

18. lower explosion limit (%,v/v ): undetermined

19. solubility: undetermined

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1, moore refractive index: 55.42

2, moore volume (m³/mol):182.2

3、 isotonic specific volume (90.2k) ：455.6

4, surface tension (dyne/cm):39.0

5、 polarizability (10^-24cm³):21.97

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 64.3

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 204

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet

east-font-family: arial; mso-bidi-font-family: 宋体”> isotonic specific volume (90.2k): 455.6

4, surface tension (dyne/cm):39.0

5、 polarizability (10^-24cm³):21.97

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 64.3

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 204

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet