1-amino-2,4-dibromoanthraquinone 1-amino-2,4-dibromoanthraquinone
structural formula
| business number | 01s7 |
|---|---|
| molecular formula | c14h7br2no2 |
| molecular weight | 381.02 |
| label |
none yet |
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
p>
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.
