p-Aminoazobenzene p-Aminoazobenzene

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:60-09-3

MDL number:MFCD00007854

EINECS number:200-453-6

RTECS number:BY8225000

BRN number:1913042

PubChem number:24869842

Physical property data

1. Properties: light yellow or brown crystal with light blue luster.

2. Density (g/mL, 25/4℃): 1.28

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 123-126

5. Boiling point (ºC, normal pressure): 360

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

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

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: Easily soluble in ethanol, benzene, chloroform and ether , slightly soluble in water. Insoluble in cold water.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 60.77

2. Molar volume (cm³/mol): 174.9

3. Isotonic specific volume (90.2K ): 454.7

4. Surface tension (dyne/cm): 45.6

5.Polarizability (10^-24cm³): 24.09

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.4

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

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4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 50.7

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 201

10. Isotopic atoms Quantity: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond positions Number of stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. May cause cancer.

Storage method

Store in a sealed, cool, dry and away from light.

Synthesis method

Starting from aniline, it is diazotized and then condensed with aniline through translocation rearrangement. Pour aniline and sodium nitrite solution into the reaction pot, stir at 30-40°C, add 30% hydrochloric acid within 2.5-3h, and then raise the temperature to 50-55°C for transposition.

Purpose

1. Determination of nitrite. Non-aqueous acid-base indicator for titration. Organic Synthesis. Dye intermediates. Used in the synthesis of azo dyes, disperse dyes, oxazine dyes, paints and pigments, as well as alcohol-soluble yellow and pH indicators.