Hexachloro-2-propanone structural formula

Hexachloro-2-propanone structural formula

Structural formula

Business number 038J
Molecular formula C3Cl6O
Molecular weight 264



Numbering system

CAS number:116-16-5

MDL number:MFCD00000796

EINECS number:204-129-5

RTECS number:UC2100000

BRN number:1707475

PubChem number:24895685

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25℃): 1.743

3. Relative vapor density (g/mL, air=1): 9.2

4. Melting point (ºC): -2.0

5. Boiling point (ºC, normal pressure): 203

6. Boiling point (ºC, KPa): Undetermined

7. Refractive index: 1.511

8. Flash point (ºC): >100

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC) : Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined Determined

18. The lower explosion limit (%, V/V) has not been determined:

19. Solubility: Slightly soluble in water, soluble in ketones.

Toxicological data

1. Acute toxicity: Rat oral LD50: 1290mg/kg

Rat dermal LD50: 2980mg/kg

Rabbit dermal LD50: 2980mg/kg


Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 45.00

2. Molar volume (cm3/mol): 143.5

3. Isotonic specific volume (90.2K): 377.4

4. Surface tension (dyne/cm): 47.7

5. Polarizability (10-24cm3): 17.84

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.7

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 molecular polarity tableProduct 17.1

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 124

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13 .Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Stable at room temperature and pressure, avoid contact with strong oxidants and strong alkali.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from oxidants and alkalis, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method



Used as herbicide and desiccant.

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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