2-sec-butyl-4,6-dinitrophenol
structural formula
| business number | 0204 |
|---|---|
| molecular formula | c10h12n2o5 |
| molecular weight | 240.21 |
| label |
dinitrobutanol, aatox,dibutox,dytop,laseb,premerg, herbicide |
numbering system
cas number:88-85-7
mdl number:mfcd00024246
einecs number:201-861-7
rtecs number:sj9800000
brn number:none
pubchem number:24868930
physical property data
1. characteristics: orange-brown liquid.
2. density ( g/ml,25/4℃) : undetermined
3. relative vapor density ( g/ml,air =1): undetermined
4. melting point ( ºc): 38～42
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): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. oil and water (octanol/water) partition coefficient pair value: undetermined
17. explosion limit (%,v/v): not ok
18. lower explosion limit (%,v/v): not ok
19. solubility: soluble in heat ethanol and ether are slightly soluble in boiling benzene and insoluble in water.
toxicological data
none
ecological data
none
molecular structure data
none
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: 5
4. number of rotatable chemical bonds: 2
5. number of tautomers: 4
6. topological molecule polar surface area 112
7. number of heavy atoms: 17
8. surface charge: 0
9. complexity: 298
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
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 sealed and stored away from light.
synthesis method
none
purpose
contact herbicide. pesticide analysis standards.
: 0pt”>18. lower explosion limit (%,v/v): undetermined
19. solubility: soluble in heat ethanol and ether are slightly soluble in boiling benzene and insoluble in water.
toxicological data
none
ecological data
none
molecular structure data
none
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: 5
4. number of rotatable chemical bonds: 2
5. number of tautomers: 4
6. topological molecule polar surface area 112
7. number of heavy atoms: 17
8. surface charge: 0
9. complexity: 298
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
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 sealed and stored away from light.
synthesis method
none
purpose
contact herbicide. pesticide analysis standards.