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.
