Hexachloro-2-propanone
Structural formula
| Business number | 038J |
|---|---|
| Molecular formula | C3Cl6O |
| Molecular weight | 264 |
| label |
Hexachloroacetone,Hexachloropropanone, herbicide |
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
p>
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
None
Purpose
Used as herbicide and desiccant.
