2-bromo-5-nitrotrifluorotoluene
structural formula
| business number | 04gw |
|---|---|
| molecular formula | c7h3brf3no2 |
| molecular weight | 270.01 |
| label |
aromatic fluoride |
numbering system
cas number:367-67-9
mdl number:mfcd00014707
einecs number:none
rtecs number:none
brn number:2460260
pubchem number:24862572
physical property data
一 , physical property data
traits ：yellow crystal
density (g/ml,25/4℃): not available
relative vapor density (g/ml, air=1)：not available
melting point (ºc): 46-48
boiling point (ºc, normal pressure): 87-88
boiling point (ºc, 5.2kpa): not available
refractive index: 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
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: 45.46
2. molar volume (m3/mol）：150.9
3. isotonic specific volume (90.2k):370.4
4. surface tension (dyne/cm):36.2
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: 45.46
2. molar volume (m3/mol）：150.9
3. isotonic specific volume (90.2k):370.4
4. surface tension (dyne/cm):36.2
5. polarizability（10-24cm3):18.02
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.3
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 5
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: 228
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
liquid crystal material intermediates
ast-font-family: arial”>5. polarization rate（10 -24cm3):18.02
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.3
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 5
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: 228
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
liquid crystal material intermediates
