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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