4-Fluorobenzylamine 4-Fluorobenzylamine
Structural formula
| Business number | 03T9 |
|---|---|
| Molecular formula | C7H8FN |
| Molecular weight | 125.14 |
| label |
p-fluorobenzylamine, p-fluorobenzamide, 4-Fluorobenzylamine, 4-Fluoro-benzenemethanamin, p-Fluorobenzylamine, aromatic compounds |
Numbering system
CAS number:140-75-0
MDL number:MFCD00008120
EINECS number:205-430-4
RTECS number:None
BRN number:636501
PubChem ID:None
Physical property data
1. Shape: liquid
1.Density (g /mL ,20/4℃)：1.102
2.Refractive index (nD20): 1.512
3. Flashpoint (℃): 66
4.Boiling point (ºC): 182-183
5.Autoignition point or Ignition temperature (ºC): 67
Toxicological data
None yet
Ecological data
3. Ecological data:
1, other harmful effects: This substance may be harmful to the environment, special attention should be paid to water bodies.Molecular structure data
5. Molecular property data: 1. Molar refractive index:34.69 2. Molar volume (m3/ mol):113.6 3. Isotonic specific volume (90.2K): 280.2 4. Surface tension (dyne/cm): 36.9 5. Polarizability（10-24cm3):13.75
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: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 26
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 77
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
1. Molar refractive index:34.69
2. Molar volume (m3/ mol):113.6
3. Isotonic specific volume (90.2K): 280.2
4. Surface tension (dyne/cm): 36.9
5. Polarizability（10-24cm3):13.75
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: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 26
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 77
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
Stable under normal temperature and pressure. SPAN>
Storage method
Stored sealed in a dry and cool place.
Synthesis method
Add 100ml reaction bottleN-(4-fluorobenzyl)phthalimide 25.5g(0.1mol) and 25mlabsolute ethanol ,Add 80% hydrazine hydrate solution6.3g(0.1mol ),Heated reflow0.5g. Add excess hydrochloric acid to decompose the precipitated white precipitate. After cooling, add an appropriate amount of water, stir, and filter with suction. Neutralize the filtrate with NaOH solution and extract with ether. After drying the ether extract, evaporate the ether and distill under reduced pressure to collect 44-46℃（67kPa) fraction, get p-fluorobenzylamine7.1g, yield 56.5%.
Purpose
1.Anti-allergic drug astemizole, an intermediate of analgesic Flupirine.
2.Used as pharmaceutical and pesticide intermediates
IZE: 9pt; FONT-FAMILY: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>Stable under normal temperature and pressure.
Storage method
Stored sealed in a dry and cool place.
Synthesis method
Add 100ml reaction bottleN-(4-fluorobenzyl)phthalimide 25.5g(0.1mol) and 25mlabsolute ethanol ,Add 80% hydrazine hydrate solution6.3g(0.1mol ),Heated reflow0.5g. Add excess hydrochloric acid to decompose the precipitated white precipitate. After cooling, add an appropriate amount of water, stir, and filter with suction. Neutralize the filtrate with NaOH solution and extract with ether. After drying the ether extract, evaporate the ether and distill under reduced pressure to collect 44-46℃（67kPa) fraction, get p-fluorobenzylamine7.1g, yield 56.5%.
Purpose
1.Anti-allergic drug astemizole, an intermediate of analgesic Flupirine.
2.Used as pharmaceutical and pesticide intermediates