2,3,4,5,6-pentafluorobenzyl alcohol

structural formula

• 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:440-60-8

mdl number:mfcd00004602

einecs number:207-126-7

rtecs number:dp0695000

brn number:2052669

pubchem number:24851790

physical property data

一 , physical property data

traits ：white solid

density (g/ml,25/4℃): not available

relative vapor density (g/ml, air=1)：not available

melting point (ºc): 37-38

boiling point (ºc, normal pressure): 114-115

boiling point (ºc, 5.2kpa): not available

refraction rate: not available

flash point (ºc): 87

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:32.67

2、 molar volume（m³/mol)：124.2

3、 isotonic specific volume (90.2k):296.4

4、 surface tension（dyne/cm)：32.3

5、 polarizability(10^-24cm³）：12.95

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.5

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 20.2

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 162

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

the preparation method is 2,3,4,5,6-pentafluorobenzoic acid on a zn electrode in 5% h₂ the product is obtained by fluidized bed electrolysis in so₄ solution.

purpose

intermediates for pharmaceuticals, pesticides, and liquid crystal materials.

resource:allhdi.com