1,2-difluoro-4-nitrobenzene
structural formula
| business number | 04hh |
|---|---|
| molecular formula | c6h3f2no2 |
| molecular weight | 159.09 |
| label |
3,4-difluoronitrobenzene, 3,4-difluoronitrobenzene, aromatic fluoride |
numbering system
cas number:369-34-6
mdl number:mfcd00007198
einecs number:206-718-2
rtecs number:cz5710000
brn number:1944996
pubchem number:24857335
physical property data
一 , physical property data
traits ：light yellow transparent liquid
density (g/ml,25/4℃): not available
relative vapor density (g/ml, air=1)：not available
melting point (ºc): 80-81
boiling point (ºc, normal pressure): not available
boiling point (ºc, 5.2kpa): not available
refraction rate: 1.508-1.510
flash point (ºc): 80
optical rotation (º): not available
spontaneous combustion point or ignition temperature (ºc): not available
steam pressure (kpa, 25ºc): not available
saturated vapor pressure (kpa, 60ºc): not available
burn heat (kj/mol):not available
critical temperature (ºc): not available
critical pressure (kpa): not available
oil and water log value of the (octanol/water) partition coefficient:not available
explosion upper limit (%, v/v): not available
explosion lower limit (%, v/v): not available
dissolve properties: not available
toxicological data
two , toxicological data:
acute toxicity:not available .
ecological data
three , ecological data:
1 , other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.
molecular structure data
1. molar refractive index: 32.78
2. molar volume (m3/mol）：109.6
3. isotonic specific volume (90.2k):277.0
4. surface tension (dyne/cm):40.6
5, polarizability（10-24cm3): 12.99
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: 0
5. number of tautomers: none
6. topological molecule polar surface area 45.8
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 159
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
none
synthesis method
none
purpose
pharmaceutical intermediates.
