4-Fluoro-3-nitrotrifluorotoluene
Structural formula
| Business number | 04GZ |
|---|---|
| Molecular formula | C7H3F4NO2 |
| Molecular weight | 209.10 |
| label |
2-nitro-4-trifluoromethylfluorobenzene, 3-nitro-α,α,α,4-tetrafluorotoluene, 4,α,α,α-tetrafluoro-3-nitrotoluene, 3-Nitro-α,α,α,4-tetrafluorotoluene, 4,α,α,α-Tetrafluoro-3-nitrotoluene, FNBT, aromatic compounds |
Numbering system
CAS number:367-86-2
MDL number:MFCD00007059
EINECS number:206-702-5
RTECS number:None
BRN number:1880508
PubChem number:24852829
Physical property data
1. Physical property data
Characteristics: yellow transparent liquid.
Density (g/mL, 25/4℃): 1.494
Relative vapor density (g/mL, air=1): Not available
Melting point (ºC): Not available
Boiling point (ºC, normal pressure): 92
Boiling point (ºC, 5.2kPa): Not available
Refractive index: 1.4620
Flash point (ºC): 33
Specific optical rotation (º): Not available
Autoignition point or ignition 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 Use
Log value of oil-water (octanol/water) partition coefficient: Not available
Explosion upper limit (%, V/V): Not available
Lower explosion limit (%, V/V): Not available
Solubility: Not available
Toxicological data
2. Toxicological data:
Acute toxicity:
Main irritant effects:
On the skin: Irritating to the skin and mucous membranes.
On the eyes: irritating effects.
Sensitization: No known sensitizing effects.
Ecological data
3. Ecological data:
General notes
Water hazard level 1 (German regulations) (self-assessment through list) This substance has harmful effects on water Slightly harmful.
Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.
Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 37.77
2. Molar volume (cm3/mol): 138.9
3. Isotonic specific volume (90.2K ): 327.0
4. Surface tension (dyne/cm): 30.6
5.�� Polarizability (10-24cm3): 14.97
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 45.8
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 225
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
