4-fluorocatechol
structural formula
| business number | 04gq |
|---|---|
| molecular formula | c6h5fo2 |
| molecular weight | 128.10 |
| label |
heterocyclic compounds, pharmaceuticals, pesticide intermediates |
numbering system
cas number:367-32-8
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
一 , physical property data
traits ：not available
density (g/ml,25/4℃): not available
relative vapor density (g/ml, air=1)：not available
melting point (ºc): 90-91
boiling point (ºc, normal pressure): not available
boiling point (ºc, 5.2kpa): not available
refraction rate: not available
flash point (ºc): not available
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: 30.00
2. molar volume (m3/mol）：90.5
3. isotonic specific volume (90.2k):244.4
4. surface tension (dyne/cm):53.2
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: 30.00
2. molar volume (m3/mol）：90.5
3. isotonic specific volume (90.2k):244.4
4. surface tension (dyne/cm):53.2
5. polarizability（10-24cm3):11.89
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 0
5. number of tautomers: 8
6. topological molecule polar surface area 40.5
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 97.1
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 yet
storage method
none yet
synthesis method
using p-fluorophenol as raw material, under the catalysis of concentrated sulfuric acid, the acetic anhydride esterification reaction produces p-fluorophenyl acetate. ; p-fluorophenyl acetate occurs under the action of aluminum trifluoriderearrangement reaction, generate5-fluorine-2-hydroxyacetophenone; reagentdakinsynthesized by oxidation4-fluorocatechol.
purpose
this product is mainly used in the production of pesticides and pharmaceutical intermediates.
: auto; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt” align=left>5. polarizability（10-24cm3):11.89
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 0
5. number of tautomers: 8
6. topological molecule polar surface area 40.5
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 97.1
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 yet
storage method
none yet
synthesis method
using p-fluorophenol as raw material, under the catalysis of concentrated sulfuric acid, the acetic anhydride esterification reaction produces p-fluorophenyl acetate. ; p-fluorophenyl acetate occurs under the action of aluminum trifluoriderearrangement reaction, generate5-fluorine-2-hydroxyacetophenone; reagentdakinsynthesized by oxidation4-fluorocatechol.
purpose
this product is mainly used in the production of pesticides and pharmaceutical intermediates.
