3-Cyclopentylpropionyl Chloride 3-Cyclopentylpropionyl Chloride
Structural formula
| Business number | 02R4 |
|---|---|
| Molecular formula | C8H13Cl |
| Molecular weight | 160.64 |
| label |
cyclopentanoyl chloride, Cyclopentanepropionyl chloride |
Numbering system
CAS number:104-97-2
MDL number:MFCD00001391
EINECS number:203-257-9
RTECS number:None
BRN number:1856952
PubChem number:24856283
Physical property data
1. Characteristics: Colorless liquid.
2. Density (g/mL,25℃): 1.049
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,normal pressure):199
6. Boiling point (ºC, mmHg):Undetermined
7. Refractive index:1.464
8. Flashpoint (ºC): 84
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,20ºC): 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. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
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10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,20ºC): 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. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
This substance is slightly harmful to water.
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 116
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
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
Avoid contact with oxidants, alkalis, active metals, and water.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire, heat and water sources. They should be stored separately from oxidants, alkali metals, and metals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should
Have emergency response equipment and appropriate containment materials available.
Synthesis method
None
Purpose
None
so-pagination: widow-orphan” align=left>17. Explosion limit (%,V/V ): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
This substance is slightly harmful to water.
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 116
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
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
Avoid contact with oxidants, alkalis, active metals, and water.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire, heat and water sources. They should be stored separately from oxidants, alkali metals, and metals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should
Have emergency response equipment and appropriate containment materials available.
Synthesis method
None
Purpose
None