p-trifluoromethylbenzoyl chloride
structural formula
| business number | 048k |
|---|---|
| molecular formula | c8h4cl3o |
| molecular weight | 208.57 |
| label |
4-trifluoromethylbenzoyl chloride, 4-trifluoromethylbenzoyl chloride, 4-(trifluoromethyl)formyl chloride, p-trifluoromethylbenzoyl chloride, p-trifluoromethylbenzoyl chloride, ptf-boc, timtec-bb sbb003467, 4-(trifluoromethyl)-benzoylchlorid, benzoyl chloride, 4-(trifluoromethyl)-, p-toluoyl chloride, alpha,alpha,alpha-trifluoro-, p-trifluoromethyl benzoic acid chloride, 4-(trifluoromethyl)benzoyl chl |
numbering system
cas number:329-15-7
mdl number:mfcd00000694
einecs number:206-342-9
rtecs number:none
brn number:391282
pubchem id:none
physical property data
一 , physical property data
traits ：colorless or yellow liquid
density (g/ml,25/4℃): 1.404
relative vapor density (g/ml, air=1)：not available
melting point (ºc): -3
boiling point (ºc, normal pressure): 188-190
boiling point (ºc, 5.2kpa): not available
refraction rate: 1.467
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 sex: 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: 41.47
2. molar volume (m3/mol）：149.3
3. isotonic specific volume (90.2k):348.3
4. surface tension (dyne/cm):29.5
5. polarizability（10-24cm3):16.44
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: 4
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 17.1
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 194
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
