4-(trifluoromethylthio)aniline
structural formula
| business number | 04j1 |
|---|---|
| molecular formula | c7h6f3ns |
| molecular weight | 193.19 |
| label |
4-trifluoromethylthioaniline, p-trifluoromethylthioaniline, 4-aminophenyl trifluoromethyl sulfide, 4-trifluoromethylsulfanyl-phenylamine, 4-aminophenyl trifluoromethyl sulphi, cf3sc6h4nh2, aromatic amino compounds |
numbering system
cas number:372-16-7
mdl number:mfcd00040926
einecs number:206-744-4
rtecs number:none
brn number:2208859
pubchem number:24870634
physical property data
一 , physical property data
traits ：not available
density (g/ml,25/4℃): 1.351
relative vapor density (g/ml, air=1)：not available
melting point (ºc): not available
boiling point (ºc, normal pressure): 102-103
boiling point (ºc, 5.2kpa): not available
refraction rate: 1.528
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
2. 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: 43.37
2. molar volume (m3/mol）：140.0
3. isotonic specific volume (90.2k):347.7
4. surface tension (dyne/cm): 38.0
5. polarizability（10-24cm3):17.19
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 51.3
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 140
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