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

Structural formula

Business number	01S9
Molecular formula	C14H6N2O8
Molecular weight	330.21
label	None yet

• 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.

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Synthesis method

None yet

Purpose

Used for synthetic dyes.