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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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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