p-quinone 4-chloroimide
Structural formula
| Business number | 070X |
|---|---|
| Molecular formula | C6H4ClNO |
| Molecular weight | 141.56 |
| label |
Mono(chloronitrogen)quinone, N-chloro-p-benzoquinone imide, N-Chloro-p-quinoneimide, p-Quinonechloroimide, 4-chloroimino-2,5-cyclohexadiene-1-one |
Numbering system
CAS number:637-61-6
MDL number:MFCD00058961
EINECS number:None
RTECS number:GU5434000
BRN number:None
PubChem ID:None
Physical property data
1. Character:.
2. Density (g/mL,25/4℃):
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC):
5. Boiling point (ºC,Normal pressure):
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index:
8. Flash point (ºC):
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC):
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): 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 partition coefficient (water): undetermined
17. Explosion limit(%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:.
Toxicological data
1, acute toxicity: Mouse (oral) LD50: 100 mg/kg;
Mice (peritoneal)LD50： 1mg/kg
Rat (orally) LD50: 100 mg/kg
Rat (peritoneal) LD50： 10mg/kg
Since the LD50 of table salt is 3,000 mg/kg, BPA has the same degree of acute toxicity as table salt.
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 36.15
2. Molar volume (m3/mol）：111.6
3. isotonic specific volume (90.2K):285.4
4. Surface Tension (dyne/cm):42.7
5. Polarizability（10-24cm3):14.33
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 29.4
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 197
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet