3,5-diaminotrifluorotoluene
structural formula
| business number | 04h5 |
|---|---|
| molecular formula | c7h7f3n2 |
| molecular weight | 176.14 |
| label |
cf3c6h3(nh2)2, aromatic amino compounds |
numbering system
cas number:368-53-6
mdl number:mfcd00014776
einecs number:206-708-8
rtecs number:cz1606000
brn number:none
pubchem number:24851813
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): 87-89
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
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: 39.70
2. molar volume (m3/mol）：127.5
3. isotonic specific volume (90.2k):316.1
4. surface tension (dyne/cm):37.7
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: 39.70
2. molar volume (m3/mol）：127.5
3. isotonic specific volume (90.2k):316.1
4. surface tension (dyne/cm):37.7
5. polarizability（10-24cm3):15.74
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
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 52
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 147
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 intermediates.
1; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>5. polarizability（10 -24cm3):15.74
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
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 52
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 147
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 intermediates.
