1-nitroanthraquinone 1-nitroanthraquinione

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:82-34-8

mdl number:none

einecs number:201-413-0

rtecs number:cb7940000

brn number:none

pubchem id:none

physical property data

1. character: yellow needle-like or prismatic crystal

2. density (g/ml,25/4℃): unsure

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

4. melting point (ºc): 230

5. boiling point (ºc,normal pressure):270℃（ 0.93kpa).

6. boiling point (ºc,5.2kpa): unsure

7. refractive index: uncertain

8. flashpoint (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 (2. teratogenicity: microorganisms: 100 ug/plate

3 , neurotoxicity:

rabbit skin test: 500 mg/24hreaction; rabbit eye test: 100 mg/24hreaction

ecological data

none yet

molecular structure data

1. molar refractive index: 65.21

2. molar volume (m³/mol）：170.9

3. isotonic specific volume (90.2k):491.9

4. surface tension (dyne/cm):68.6

5. polarizability（10^-24cm³):25.85

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 80

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 428

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

yellow needle-like or prismatic crystals. melting point230℃, boiling point 270℃（0.93kpa). meltable in alcohol and ether, slightly soluble in ethyl acetate, benzene, chloroform and acetic acid, insoluble in water. it is brown in sulfuric acid.

storage method

seal and store in a dark place.

synthesis method

obtained from the nitration of anthraquinone.

purpose

this product is a dye intermediate and is used for production1-aminoanthraquinone,1,5-and1,8-dinitrate anthraquinone.

��68.6

5. polarizability（10^-24cm³):25.85

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 80

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 428

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

yellow needle-like or prismatic crystals. melting point230℃, boiling point 270℃（0.93kpa). meltable in alcohol and ether, slightly soluble in ethyl acetate, benzene, chloroform and acetic acid, insoluble in water. it is brown in sulfuric acid.

storage method

seal and store in a dark place.

synthesis method

obtained from the nitration of anthraquinone.

purpose

this product is a dye intermediate and is used for production1-aminoanthraquinone,1,5-and1,8-dinitrate anthraquinone.

arial; mso-font-kerning: 0pt”>aminoanthraquinone, 1,5-and 1,8-dinitroanthraquinone.