chloroaniline

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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 SO₄^2- and other cations.