1-Amino-2,4-dibromoanthraquinone 1-Amino-2,4-dibromoanthraquinone

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:81-49-2

MDL number:MFCD00019155

EINECS number:201-354-0

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Appearance: red powder

2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): 226

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

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Ratio Optical rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

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12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC ): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: Slight Dissolved in water.

Toxicological data

1. Teratogenicity

Salmonella: 333 ug/plate

Rat: 329 gm/kg/39W;

2. Neurotoxicity

Rabbit eye test: 500mg/24H;

3. Other multiple dose toxicity data

Rat caliber TDL0: 130500mg/kg/90D-C

Mouse caliber TDL0: 42075mg/kg/90D-C

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 74.83

2. Molar volume (cm³/mol): 179.8

3. Isotonic specific volume (90.2K ): 541.7

4. Surface tension (dyne/cm): 82.4

5. Polarizability (10^-24cm³): 29.66

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 3

6. Topological molecule polar surface area 60.2

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 414

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be sealed and stored in a dry and dark place.

Synthesis method

First stir 1-aminoanthraquinone and water in a pot, grind them into colloids, then add them to the bromination pot, and add water to adjust the volume. Then add 30% hydrochloric acid and bromine, stir for 1 hour, and slowly add 10% sodium hypochlorite solution. Raise the temperature to 50°C in 2 hours, keep it warm for 2 hours, raise the temperature to 80°C within 3 hours, and keep the reaction until the end point (the measured melting point is above 220°C.). Add 10% sodium bisulfite solution, cool to below 50°C, filter, wash until neutral, and dry. When 50.17kg of 1-aminoanthraquinone and 48kg of bromine are added to each batch, 81.45kg of 1-amino-2,4-dibromoanthraquinone can be obtained.

Purpose

Intermediates for dyes and other organic chemical raw materials.