Polyether_Polyether Polyol Knowledge 4-Fluorobenzylamine 4-Fluorobenzylamine

4-Fluorobenzylamine 4-Fluorobenzylamine

4-fluorobenzylamine structural formula

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. Polarizability10-24cm3):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. Polarizability10-24cm3):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 44-4667kPa) 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 44-4667kPa) 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

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