chloroaniline
Structural formula
| Business number | 01YQ |
|---|---|
| Molecular formula | C6H2Cl2O4 |
| Molecular weight | 208.98 |
| label |
2,5-Dihydroxy-3,6-dichlorobenzoquinone, chloroquinone acid, cloranic acid, 2,5-Dichloro-3,6-dihydroxy-p-benzoquinone, Reagents for determination of phenothiides and catechols |
Numbering system
CAS number:87-88-7
MDL number:MFCD00001596
EINECS number:201-780-7
RTECS number:DK4005000
BRN number:1875040
PubChem number:24893029
Physical property data
1. Properties: red crystal. Can be sublimated. A fairly strong dibasic acid.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 283～284
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined Determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit ( %, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in ethanol and hot alkali, slightly Soluble in water and ether.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 39.65
2. Molar volume (cm3/mol): 108.1
3. Isotonic specific volume (90.2K ): 323.1
4. Surface tension (dyne/cm): 79.8
5. Polarizability (10-24cm3): 15.72
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 4
6. Topological molecule polar surface area 74.6
7.ChongyuanNumber of subunits: 12
8. Surface charge: 0
9. Complexity: 306
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
1. It is a strong dibasic acid. Forms brown to purple complexes with various metal ions. It forms complexes with characteristic light absorption with phenothienes, catechols, quinines, etc.
Storage method
This product should be sealed and stored in a cool, dry place.
Synthesis method
1. Hydrolysis of tetrachlorobenzoquinone and sodium hydroxide solution under heating to obtain crude product:
Dissolve the crude crystal in boiling water , filter while hot, cool and crystallize the filtrate in ice water (extract with benzene at 50°C if necessary), wash with cold water until qualified, and dry at 115°C to obtain the finished product.
Purpose
1. Used to determine calcium in serum. Determination of strontium, zirconium, and molybdenum. Can form stable salts with metal cations.
2.Used for photometric determination of phenothiosides, catechols, o-aminophenols, quinine sulfate and related heart and blood drugs, etc. reagents. It is also used to determine metal ions such as Hg2+ by weighing method, and metal ions such as Ca2+ by photometric method. And indirect photometry to determine SO42- and other cations.
