2,4-dinitro-1-naphthol-7-sulfonic acid

Structural formula

Business number	052H
Molecular formula	C10H6N2O8S
Molecular weight	314.23
label	2,4-dinitro-1-naphthol-7-sulfonic acid, 2,4-Dinitro-1-naphthol-7-sulfonic acid, Flavianic acid, 8-Hydroxy-5,7-dinitro-2-naphthalenesulfonic acid

• 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:483-84-1

MDL number:MFCD00149489

EINECS number:207-600-3

RTECS number:QK1810000

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: Yellow needle-shaped crystals.

2. Density (g/mL,25℃） : Undetermined

3.   Relative vapor density (g/mL,air =1): Not determined

4. Melting point (ºC): 151

5. Boiling point (ºC,normal pressure): Undetermined

6. Boiling point (ºC, kPa):Undetermined

7. Refractive index (_D²⁰)：Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific rotation (ºC): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Water) logarithm of the partition coefficient:Undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Soluble in water and ethanol.

Toxicological data

Mutagenicity data: microbial organismsTESTSystemic mutation: bacteria–Salmonella Typhimurium:10umol/Tablet

Ecological data

This substance may be harmful to the environment There are hazards and special attention should be paid to water bodies.

Molecular structure data

1、 Molar refractive index:68.25

2、 Molar volume（m³/mol)：168.4

3、 Isotonic specific volume (90.2K):534.5

4、 Surface tension（dyne /cm）：101.4

5、 Polarizability(10^-24cm³）：27.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.8

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 8

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 175

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 533

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

Byα-Naphthol is obtained by sulfonation and nitration. Will 200g25%Slowly add fuming sulfuric acid into 50g α-naphthol, stir to dissolve, and dissolve in 125℃Reaction 1h. After the reaction is completed, cool, and 500g Mix with crushed ice and filter. Add120gConcentrated nitric acid with a relative density of 1.40, in Heating at 50℃ 1.5h. The reactant was left at room temperature for 12h, filtered, recrystallized with dilute hydrochloric acid, and dried to obtain the finished product.

Purpose

Used as organic synthesis intermediates, organic base precipitants, and amino acid reagents. This product can react with 50 a variety of metal ions, but it only precipitates with zirconium and lead in acidic solutions. It has the advantages of strong selectivity and high sensitivity when used to measure zirconium.