structural formula
| business number | 04t7 |
|---|---|
| molecular formula | c8h4f6 |
| molecular weight | 214.11 |
| label |
1,4-bis(trifluoromethyl)benzene, 1,4-bis(trifluoromethyl)benzene, p-bis(trifluoromethyl)benzene, p-ditrifluorotoluene, 1,4-bistrifluorotoluene, 1,4-bis(trifluoromethyl)benzene, ,4-bis-trifluoromethyl-benzene, ,a,a,a’,a’,a’-hexafluoro-p-xylene, 1,4-bis(trifluoromethyl)-benzen, benzene, 1,4-bis(trifluoromethyl)-, benzene,1,4-bis(trifluoromethyl)-, hexafluoro-p-xylene, p-xylene, alpha,alpha,alpha,alpha’,alpha’,alpha’-hexafluoro-, -trifluo |
numbering system
cas number:433-19-2
mdl number:mfcd00000402
einecs number:207-086-0
rtecs number:none
brn number:1912445
pubchem number:24857498
physical property data
1. physical property data
characteristics: yellowish needle-like crystals
density (g/ml, 25 /4℃): 1.3808
relative vapor density (g/ml, air=1): not available
melting point (ºc): 2.8
boiling point (ºc, normal pressure): 117
refractive index at normal temperature (n25): 1.3767
refractive index: 1.378-1.38
flash point (ºc): 21 specific rotation (º): not available
autoignition point or ignition combustion temperature (ºc): not available
vapor pressure (kpa, 25ºc): not available
saturated vapor pressure (kpa, 60ºc) : not available
heat of combustion (kj/mol): not available
critical temperature (ºc): not available
critical pressure (kpa): not available
log value of oil-water (octanol/water) partition coefficient: not available
upper limit of explosion (%, v/v): not available
lower limit of explosion (%, v/v): not available
solubility: not available
toxicological data
2. toxicological data:
acute toxicity: not available.
ecological data
3. ecological data:
1. other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.
molecular structure data
1. molar refractive index���36.21
2. molar volume (cm3/mol): 156.4
3. isotonic specific volume (90.2k): 321.6
4. surface tension (dyne/cm): 17.8
5. polarizability (10-24cm3): 14.35
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 6
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 0
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 161
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
none yet
purpose
chemical and pharmaceutical intermediates.
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