Structural formula
Business number | 03SP |
---|---|
Molecular formula | C6H12Cl3O3P |
Molecular weight | 269 |
label |
None yet |
Numbering system
CAS number:140-08-9
MDL number:MFCD00000968
EINECS number:205-397-6
RTECS number:KK2810000
BRN number:None
PubChem number:24900541
Physical property data
1. Density (g/mL ,25℃):1.328
2. Refractive index (nD20):1.487
3. Flash point (℉):375
4. Boiling point (ºC,2 mmHg): 112-115
Toxicological data
Acute toxicity data :
Rat Sutra MouthLD50:100mg/kg
Mouse abdominal cavity LDLo:250uL/kg
Rabbit skinLD50:810mg/kg
Other multi-dose Data:
Rabbit skinTDLo:21mg/kg/2D-I
Mutation data :
Bacteria–Salmonella typhimurium: 333ug/plate
Ecological data
None yet
Molecular structure data
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Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 9
5. Number of tautomers: none
6. Topological molecule polar surface area 27.7
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 90.1
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
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Synthesis method
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Purpose
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