2-Chloro-1,4-benzoquinone
Structural formula
| Business number | 07AQ |
|---|---|
| Molecular formula | C6H3ClO2 |
| Molecular weight | 142.54 |
| label |
2-Chloro-1,4-benzoquinone, o-Chloroquinone, o-Chloroquinone, 2-Chloro-p-benzoquinone, Alicyclic compounds |
Numbering system
CAS number:695-99-8
MDL number:MFCD00075260
EINECS number:None
RTECS number:None
BRN number:None
PubChem number:24861155
Physical property data
1. Properties: Solid.
2. The gas phase standard claims heat (enthalpy) (kJ·mol-1): -314.0
3. The liquid phase standard claims heat (enthalpy) (kJ·mol-1): -158.0
4. Melting point (ºC): 57
5. Boiling point (ºC, normal pressure): Not available Determined
6. Boiling point (ºC, 5.2kPa): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined Determined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor Pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
p>
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil-water (octanol/water) partition coefficient Logarithmic value of p>
19. Solubility: Undetermined.
Toxicological data
None yet
Ecological data
Do not allow undiluted or large quantities of products that are slightly hazardous to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 32.43
2. Molar volume (cm3/mol): 101.5
3. Isotonic specific volume (90.2K ): 261.4
4. Surface tension (dyne/cm): 43.8
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 12.85
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Hydrogen bond acceptor�Number: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: None
6. Topological molecule polar surface area 34.1
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 225
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine Number of stereocenters of chemical bonds: 0
14. Number of stereocenters of uncertain chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
Keep away from oxides.
Storage method
Store in an airtight container in a cool, dry place. Store away from oxidizing agents.
Synthesis method
None yet
Purpose
None yet
