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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