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.