Structural formula
| Business number | 048B |
|---|---|
| Molecular formula | C8H3F6NO2 |
| Molecular weight | 255.11 |
| label |
3,5-ditrifluoromethylnitrobenzene, 3,5-bis(trifluoromethyl)nitrobenzene, 3,5-bis(trifluoromethyl)nitrobenzene, 1,3-bis(trifluoromethyl)-5-nitrobenzene, 3,5-bis(trifluoromethyl)nitrobenzene, 98+%, alpha,alpha,alpha,alpha’,alpha’,alpha’-Hexafluoro-5-nitro-m-xylene, Benzene, 1-nitro-3,5-bis(trifluoromethyl)-, LABOTEST-BB LT01143370, 1-NITRO-3,5-BIS(TRIFLUOROMETHYL)BENZENE, 1,3-BIS(TRIFLUOROMETHYL)-5-NITROBENZENE, 5-NITRO-1,3-BIS(TRIFLUOROMETHYL)BENZENE, A, |
Numbering system
CAS number:328-75-6
MDL number:MFCD00000384
EINECS number:206-336-6
RTECS number:None
BRN number:1998251
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): 1.535
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC):Not available
Boiling point (ºC, normal pressure): 71-72
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: 1.426-1.428
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
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: 42.75 2. Molar volume (m3/mol）：168.2 3. isotonic specific volume (90.2K):377.1 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: 42.75 2. Molar volume (m3/mol）：168.2 3. isotonic specific volume (90.2K):377.1 4. Surface Tension (dyne/cm):25.2 5. Polarizability（10-24cm3):16.95
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: 8
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: 17
8. Surface charge: 0
9. Complexity: 272
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
Pharmaceutical intermediates
” align=left> 4. Surface tension (dyne/cm): 25.2
5. Polarizability（10-24cm3):16.95
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: 8
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: 17
8. Surface charge: 0
9. Complexity: 272
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
Pharmaceutical intermediates
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