structural formula
| business number | 01q2 |
|---|---|
| molecular formula | c3cl3f3o |
| molecular weight | 215.39 |
| label |
1,1,3-trichloro-1,3,3-trifluoroacetone |
numbering system
cas number:79-52-7
mdl number:none
einecs number:none
rtecs number:uc3850000
brn number:none
pubchem id:none
physical property data
none yet
toxicological data
1, acute toxicity
rat caliber ld50: 277mg/kg; rat inhalation lc50: 450ppm/3h;
mouse intravenous ld50: 180mg/kg;
rabbit skin ld50: 770mg/kg;
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 30.94
2. molar volume (m3/mol）：125.7
3. isotonic specific volume (90.2k):290.6
4. surface tension (dyne/cm):28.5
5. polarizability（10-24cm3):12.26
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.9
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 17.1
7. number of heavy atoms: 10
8. surface charge: 0
9. complexity: 157
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
�� surface charge: 0
9. complexity: 157
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determined number of chemical bond stereocenters: 0
14. uncertain chemical bond stereocenters quantity: 0
15. quantity of covalent bond units: 1
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
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