structural formula
| business number | 03w5 |
|---|---|
| molecular formula | c10cl10o |
| molecular weight | 490.64 |
| label |
decachlorooctahydro-methylene-cyclobutyroso[cd]pentaren-2-one, chlordecone, kepeng, decachloroketone, merex, chlorodecone, decachlorooctahydro-1,3,4-metheno-2h-cyclobuta[cd]pentalin-2-one, organochlorine pesticides |
numbering system
cas number:143-50-0
mdl number:mfcd00213544
einecs number:205-601-3
rtecs number:pc8575000
brn number:none
pubchem number:24868854
physical property data
1. physical property data:
1. characteristics: tawny or white solid
2. melting point (ºc): 350ºc
3. flashpoint (ºc):>110ºc
4. solubility:difficult soluble in water, soluble in acetone, ethanol, acetic acid and other organic solvents.
toxicological data
2. toxicological data:
1, acute toxicity: rat oral ld50: 91300 ug/kg;
rat transdermal ld50: >2 mg/kg;
rabbit oral ld50: 65 mg/kg;
rabbit transdermal ld50: 345 mg/kg.
ecological data
3. ecological data:
other harmful effect: this substance may be harmful to the environment, and special attention should be paid to water bodies.
molecular structure data
5. molecular property data:
1. molar refractive index:86.66
2. molar volume (m3/ mol):215.6
3. isotonic specific volume (90.2k): 644.0
4. surface tension (dyne/cm): 79.6
5. polarizability（10-24cm3):5. molecular property data:
1. molar refractive index:86.66
2. molar volume (m3/ mol):215.6
3. isotonic specific volume (90.2k): 644.0
4. surface tension (dyne/cm): 79.6
5. polarizability（10-24cm3):34.35
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.9
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 17.1
7. number of heavy atoms: 21
8. surface charge: 0
9. complexity: 631
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 4
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
stable under normal temperature and pressure.
storage method
save at 0-6ºc.
synthesis method
none
purpose
none
al’,’sans-serif'”>34.35
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.9
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 17.1
7. number of heavy atoms: 21
8. surface charge: 0
9. complexity: 631
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 4
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
stable under normal temperature and pressure.
storage method
save at 0-6ºc.
synthesis method
none
purpose
none
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