p-trifluoromethylthiobenzoic acid
structural formula
| business number | 048u |
|---|---|
| molecular formula | c8h5f3o2s |
| molecular weight | 222.19 |
| label |
p-trifluoromethylthiobenzoic acid, 4-(trifluoromethylthio)benzoic acid, 4-(trifluoromethylthio)benzoic acid, rarechem al bo 0420, 4-trifluoromethylsulfanyl-benzoic acid, 4-(trifluoromethylthio)benzoic acid, 4-trifluomethylthio-benzoic acid, 4-(trifluoromethylthio)benzoic acid 98%, 4-(trifluoromethylthio)benzoic acid98%, -(trifluoromethylthio)benzoic acid, p-(trifluorome |
numbering system
cas number:330-17-6
mdl number:mfcd00040906
einecs number:000-000-0
rtecs number:none
brn number:2693449
pubchem id:none
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): 159.5-162.5
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: 46.03
2. molar volume (m3/mol）：147.3
3. isotonic specific volume (90.2k):380.2
4. surface tension (dyne /cm):44.3
5. polarizability（10-24cm3):18.24
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 6
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 62.6
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 209
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
storage method
none
synthesis method
none
purpose
none