2,4-dinitro-5-fluoroaniline
Structural formula
| Business number | 04GY |
|---|---|
| Molecular formula | C6H4FN3O4 |
| Molecular weight | 201.10 |
| label |
Bergman’s reagent, Bergmann’s Reagent, DNFA, FC6H2(NO2)2NH2, Bergman’s reagent, Free amino labeling reagent |
Numbering system
CAS number:367-81-7
MDL number:None
EINECS number:206-700-4
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: Crystal.
2. Density (g/mL,25℃） : Undetermined
3. Relative vapor density (g/mL,air=1): Undetermined
4. Melting point (ºC):185- 190
5. Boiling point (ºC,normal pressure): Undetermined
6. Boiling point (ºC, kPa):Undetermined
7. Refractive index (D20)：Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (ºC): 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 partition coefficient for water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Insoluble in ethanol, soluble in hot acetic acid.
Toxicological data
Toxic , irritating.
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: 43.57
2. Molar volume (m3/mol）：119.6
3. isotonic specific volume (90.2K):351.1
4. Surface Tension (dyne/cm):74.3
5. Polarizability（10-24cm3):17.27
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.6
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 118
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 250
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
Sensitive to air, light and moisture.
Storage method
should be sealed with argon gas4℃ Keep dry Light preservation.
Synthesis method
None yet
Purpose
Biochemical research, free amino labeling reagents before protein hydrolysis.
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4. Surface Tension (dyne/cm):74.3
5. Polarizability（10-24cm3):17.27
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.6
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 118
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 250
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
Sensitive to air, light and moisture.
Storage method
should be sealed with argon gas4℃ Keep dry Light preservation.
Synthesis method
None yet
Purpose
Biochemical research, free amino labeling reagents before protein hydrolysis.
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