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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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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

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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