1,2-bistrifluoromethylbenzene
Structural formula
| Business number | 04TC |
|---|---|
| Molecular formula | C8H4F6 |
| Molecular weight | 214.11 |
| label |
1,2-Bis(trifluoromethyl)benzene, o-Bis(trifluoromethyl)benzene, o-Xylene, alpha,alpha,alpha,alpha’,alpha’,alpha’-hexafluoro-, 1,2-BIS(TRIFLUOROMETHYL)BENZENE, 1,2-BIS(TRIFLUROMETHYL)BENZENE, alpha,alpha,alpha,alpha’,alpha’,alpha’-Hexafluoro-o-xylene, α,α,α,α’,α’,α’-Hexafluoro-o-xylene |
Numbering system
CAS number:433-95-4
MDL number:None
EINECS number:207-092-3
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): Not available
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): Not available
Refraction Rate: Not available
Flash Point (ºC): Not available
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
Solubility: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:36.21
2、 Molar volume（m3/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): 3.7
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: 169
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
