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