Pentachloroethane Pentachloroethane
Structural formula
| Business number | 01KL |
|---|---|
| Molecular formula | C2HCl5 |
| Molecular weight | 202.29 |
| label |
ethane pentachloride, 1,1,1,2,2-pentachloroethane, 1,1,1,2,2-Pentachloroethane, Ethane pentachloride, CCl3CHCl2, polar solvents, detergent, Ore flotation agent, wood desiccant |
Numbering system
CAS number:76-01-7
MDL number:MFCD00000846
EINECS number:200-925-1
RTECS number:KI6300000
BRN number:1736845
PubChem number:24861204
Physical property data
1. Properties: colorless heavy liquid with chloroform smell. [1]
2. Melting point (℃): -29[2]
3. Boiling point (℃): 159~162.0[3]
4. Relative density (water=1): 1.67[4]
5. Relative vapor density (air=1): 7.0[5]
6. Saturated vapor pressure (kPa): 0.47 (20℃)[6]
7. Heat of combustion (kJ/mol): -860.6[7]
8. Critical temperature (℃): 373.0[ 8]
9. Critical pressure (MPa): 3.68[9]
10. Octanol/water partition coefficient: 3.05~ 3.67[10]
11. Solubility: Insoluble in water, miscible in ethanol, ether and common organic solvents. [11]
12. Viscosity (mPa·s, 20ºC): 2.5
13. Heat of evaporation (KJ/kg, b.p.): 185.0
14. Heat of fusion (KJ/mol): 11.34
15. Heat of formation (KJ/mol, 25ºC, gas): 144.45
16. Heat of combustion (KJ/kg, 18.7ºC, constant volume): 4260.9
17. Specific heat capacity (KJ/(kg·K), 20ºC, constant pressure): 0.900
18. Electrical conductivity (S/m, 25ºC): 1.4×10-9
19. Thermal conductivity (W/(m·K), 20ºC): 0.1299
20. Volume expansion coefficient (K-1, 0~30ºC, average): 0.000912
21. Solubility parameter (J·cm-3)0.5: 18.983
22.van der Waals area (cm2·mol-1): 9.670 ×109
23. van der Waals volume (cm3·mol-1): 71.310
24. Liquid phase standard claimed heat (enthalpy) (kJ·mol-1): -187.6
25. Liquid phase standard heat melt (J·mol-1·K-1): 196.2
26. Gas phase standard claims heat (enthalpy) (kJ·mol-1): -142.0
27. Gas phase standard entropy (J·mol-1·K-1): 381.52
28. Gas phase standard free energy of formation (kJ·mol-1): -66.6
29. Gas phase standard hot melt (J·mol-1·K-1)：118.07
Toxicological data
1. Acute toxicity[12] LC50: 35006mg/m3 (rat inhalation, 2h)
2. Irritation No information available
3. Subacute and chronic toxicity[13] Dog inhalation 1g/m3, 8~9 hours a day, 3 weeks in total , liver, kidney and lung damage occur.
4. Mutagenicity [14] Microbial mutagenicity: Escherichia coli 25814 μmol/L. Sister chromatid exchange: Hamster ovary 100mg/L. Sex chromosome deletion and non-disjunction: human lung 80mg/L.
5. Carcinogenicity [15] IARC Carcinogenicity Comment: G3, insufficient evidence of carcinogenicity to humans and animals.
Ecological data
1. Ecotoxicity[16]
LC50: 7.3mg/L (96h) (fathead minnow); 7.24mg/L (96h) (bluegill sunfish); 62.9mg/L (96h) (water flea)
EC50: 58.2~134mg/L (96h) (green algae)
2. Biodegradability No data available
3. Non-biodegradability No data available
4. Others Harmful effects [17] Attention should be paid to the pollution of the water environment and aquifers. It can be weakly adsorbed by suspended solids and sediments in water bodies. Migrate in moist soil on land and hydrolyze slowly. It can slowly volatilize into the atmosphere in dry soil.
Molecular structure data
1. Molar refractive index: 35.48
2. Molar volume (cm3/mol): 118.8
3. Isotonic specific volume (90.2K ): 296.4
4. Surface tension (dyne/cm): 38.6
5. Polarizability (10-24cm3): 14.06
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 3.2
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 0
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 0
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 51.6
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the stereocenter of chemical bonds Number: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. When there is no moisture, it will not corrode iron below 100℃. If there is water, it will gradually hydrolyze at room temperature. It reacts with oxygen under light to produce trichloroacetyl chloride. High temperature thermal cracking dehydrochlorination generates tetrachlorethylene. Dehydrochlorination reaction can also occur in alkaline solutions such as calcium hydroxide suspension. Under nickel catalysis, hydrogen is used to reduce trichlorethylene.
2. Stability[18] Stable
3. Incompatible substances[19] Strong oxidants, strong alkali, potassium, sodium
4. Avoid light conditions [20] Light p>
5. Polymerization hazard[21] No polymerization
6. Decomposition products[22] sup> Chloride
Storage method
Storage Precautions[23] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from oxidants, alkalis, potassium, and food chemicals, 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
It is obtained by the addition of trichlorethylene through chlorine. Add trichlorethylene into the chlorination pot, slowly pass the chlorine reaction under the irradiation of a fluorescent lamp, the temperature is 30-40°C, and pass the chlorine until the relative density reaches 1.680-1.684 (20°C). Use sodium carbonate urea aqueous solution to remove excess chlorine to obtain pentachloroethane. The yield is 94%. In addition, this product can also be obtained by chlorination of tetrachloroethane under ultraviolet light irradiation.
Purpose
1. Pentachloroethane is a good polar solvent, detergent, ore flotation agent, and wood desiccant. It is also used in the manufacture of tetrachloroethylene (anthelmintics), hexachloroethane (anthelmintics for veterinary use). insecticides) etc.
2. Used as solvent. [24]
