structural formula
| business number | 048a |
|---|---|
| molecular formula | c8h5f6n |
| molecular weight | 229.12 |
| label |
5-amino-α,α,α,α’,α’,α’-hexafluoro-m-xylene, α,α,α,α’,α’,α’-hexafluoro-3,5-dimethylaniline, 5-amino-α,α,α,α’,α’,α’-hexafluoro-m-xylene, α,α,α,α’,α’,α’-hexafluoro-3,5-xylidine |
numbering system
cas number:328-74-5
mdl number:mfcd00000394
einecs number:206-335-0
rtecs number:ze9800000
brn number:654318
pubchem id:none
physical property data
一 , physical property data
traits ：colorless, transparent liquid, irritating.
density (g/ml,25/4℃): 1.473
relative vapor density (g/ml, air=1)：not available
melting point (ºc): not available
boilingpoint (ºc, normal pressure): 85
boiling point (ºc, 5.2kpa): not available
refraction rate: not available
flash point (ºc): 83
specific optical rotation (º): not possible use
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:40.44
2. molar volume (m3/mol):158.7
3. isotonic specific volume (90.2k): 347.5
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:40.44
2. molar volume (m3/mol):158.7
3. isotonic specific volume (90.2k): 347.5
4. surface tension (dyne/cm): 22.9
5. polarizability（10 -24cm3)：16.03
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: 7
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 26
7. number of heavy atoms: 15
8. surface charge: 0
9. complexity: 198
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
organic chemical raw material intermediates.
purpose
this product is an important intermediate for the synthesis of fluorine-containing herbicides, medicines and dyes.
l2 lfo1; tab-stops: list 36.0pt” align=left>4. surface tension (dyne/cm）：22.9
5. polarizability（10 -24cm3)：16.03
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: 7
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 26
7. number of heavy atoms: 15
8. surface charge: 0
9. complexity: 198
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
organic chemical raw material intermediates.
purpose
this product is an important intermediate for the synthesis of fluorine-containing herbicides, medicines and dyes.
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