1,8-dihydroxy-4,5-dinitro-9,10-anthraquinone 1,8-dihydroxy-4,5-dinitro-9,10-anthraquinone

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:81-55-0

mdl number:mfcd00019149

einecs number:201-360-3

rtecs number:cb6700000

brn number:none

pubchem number:24874279

physical property data

1. character: uncertain

2. density (g/ml,25/4℃): unsure

3. relative vapor density (g/ml,air=1 ): unsure

4. melting point (ºc):≥ 294℃

5. boiling point (ºc,normal pressure): uncertain

6. boiling point (ºc,5.2kpa): unsure

7. refractive index: uncertain

8. flash point (ºc): unsure

9. specific optical rotation (º): unsure

10. autoignition point or ignition temperature (ºc): unsure

11. vapor pressure (kpa,25ºc): unsure

12. saturated vapor pressure (kpa,60ºc): unsure): unsure

18. lower explosion limit (%,v/v): unsure

19. solubility: uncertain

toxicological data

1, acute toxicity

mouse intravenousld50:180 mg/kg;

2, teratogenicity

salmonella: 10ug/plate

ecological data

none yet

molecular structure data

1. molar refractive index: 75.52

2. molar volume (m³/mol）：179.6

3. isotonic specific volume (90.2k):579.4

4. surface tension (dyne/cm):108.2

5. polarizability（10^-24cm³):29.93

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.4

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 8

4. number of rotatable chemical bonds: 0

5. number of tautomers: 9

6. topological molecule polar surface area 166

7. number of heavy atoms: 24

8. surface charge: 0

9. complexity: 549

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

none yet

storage method

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

synthesis method

none yet

purpose

used for synthetic dyes.

lang=en-us style=”font-size: 9pt; font-family: arial; mso-fareast-font-family: arial”>2. molar volume ( m³/mol):179.6

3. isotonic specific volume (90.2k):579.4

4. surface tension (dyne/cm):108.2

5. polarizability（10^-24cm³):29.93

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.4

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 8

4. number of rotatable chemical bonds: 0

5. number of tautomers: 9

6. topological molecule polar surface area 166

7. number of heavy atoms: 24

8. surface charge: 0

9. complexity: 549

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

none yet

storage method

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

synthesis method

none yet

purpose

used for synthetic dyes.

>

synthesis method

none yet

purpose

used for synthetic dyes.