4-(trifluoromethyl)benzoyl chloride
structural formula
| business number | 048t |
|---|---|
| molecular formula | c8h4clf3os |
| molecular weight | 240.63 |
| label |
p-trifluoromethylthiobenzoyl chloride, 4-(trifluoromethylthio)benzene(formyl)yl chloride, 4-trifluoromethylthiobenzoyl chloride, 4-trifluomethylthio benzoyl chloride, 4-(trifluoromethylthio)benzoyl chloride, 4-trifluoromethylsulfanyl-benzoyl chloride, 4-(trifluoromethylthio)benzoyl chloride, 97+% |
numbering system
cas number:330-14-3
mdl number:mfcd01631632
einecs number:000-000-0
rtecs number:none
brn number:2723544
pubchem id:none
physical property data
一 , physical property data
traits ：colorless or yellow liquid
density (g/ml,25/4℃): 1.445
relative vapor density (g/ml, air=1)：not available
melting point (ºc): -32
boiling point (ºc, normal pressure): 229-230
boiling point (ºc, 5.2kpa): not available
refraction rate: 1.5220
flash point (ºc): 117℉
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: 49.33
2. molar volume (m3/mol）：161.3
3. isotonic specific volume (90.2k):402.1
4. surface tension (dyne/cm):38.6
5. polarizability（10-24cm 3):19.55
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 4.2
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 42.4
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 211
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
