2,5-diethylnitrobenzene
structural formula
| business number | 03ah |
|---|---|
| molecular formula | c10h13no4 |
| molecular weight | 211.21 |
| label |
(c2h5o)2c6h3no2, heterocyclic compounds |
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
