4-(trifluoromethoxy)benzonitrile
structural formula
| business number | 0498 |
|---|---|
| molecular formula | c8h4f3no |
| molecular weight | 187.12 |
| label |
p-cyanotrifluoromethoxybenzene, 4-trifluoromethoxybenzonitrile, 4-(trifluoromethoxy)benzonitrile, 1-cyano-4-(trifluoromethoxy)benzene, p-trifluoromethoxybenzonitrile, 4-(trifluoromethoxy)benzonitrile 98, 4-(trifluoromethoxy)benzonitrile 98%, p-trifluoromethoxybenonitrile, 4-(trifluoromethoxy)benzonitrile, p-cyanotrifluoromethoxybenzene, benzonitrile, 4-(trifluoromethoxy)-, 4-(trifluoromethyloxy)benzonitrile |
numbering system
cas number:332-25-2
mdl number:mfcd00039474
einecs number:206-363-3
rtecs number:none
brn number:2832939
pubchem number:24860691
physical property data
一 , physical property data
traits ：colorless transparent liquid
density (g/ml,25/4℃): 1.285
relative vapor density (g/ml, air=1)：not available
melting point (ºc):not available
boiling point (ºc, normal pressure):not available
boiling point (ºc, 5.2kpa): 192-193
refraction rate: 1.451-1.453
flash point (ºc): 82
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: 38.05
2. molar volume (m3/mol）：138.7
3. isotonic specific volume (90.2k):335.3
4. surface tension ( dyne/cm):34.1
5. polarizability（10-24cm3):15.08
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.8
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 33
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 209
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
none yet
