1-Nitroanthraquinone 1-Nitroanthraquinione

Structural formula

Business number	01SU
Molecular formula	C14H7NO4
Molecular weight	253.21
label	None

• 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.