p-Nitrophenylazoresorcinol

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:74-39-5

MDL number:MFCD00007310

EINECS number:200-808-5

RTECS number:VH2810000

BRN number:674709

PubChem number:24847188

Physical property data

1. Properties: reddish-brown powder

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, Air=1): Uncertain

4. Melting point (ºC): 195-200 (dec.)(lit.)

5. Boiling point (ºC, normal pressure): No Confirm

6. Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain Determine

9. Specific rotation (º): Uncertain

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

11. Vapor Pressure (kPa, 25 ºC): Uncertain

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil and water (octanol/water) Log value of distribution coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: Soluble in dilute alkali, it turns red-purple, slightly soluble in boiling fermentation, acetone, acetic acid and toluene, all turn yellow, insoluble in water

Toxicological data

Acute toxicity: rat oral LD50: >500 mg/kg;

Ecological data

Generally speaking, it is not harmful to water bodies

Do not use it without government permission.Discharge material into surrounding environment.

Molecular structure data

1. Molar refractive index: 66.22

2. Molar volume (cm³/mol): 178.1

3. Isotonic specific volume (90.2K ): 504.3

4. Surface tension (dyne/cm): 64.2

5. Polarizability (10^-24cm³): 26.25

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 1.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 12

6. Topological molecular polar surface area (TPSA): 105

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7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 468

10. Number of isotope atoms : 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond configuration Number of centers: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed.

Synthesis method

Dissolve 138g of p-nitroaniline in 250ml of hot concentrated hydrochloric acid, cool to 0-5°C, and add dropwise a saturated aqueous solution containing 85g of nitrous acid while stirring, with the temperature not exceeding 5°C. Then 100g of resorcinol and dilute alkali solution were added to this diazonium salt solution. The coupling product is filtered, dried, and recrystallized with alcohol to obtain p-nitrophenylazoresorcinol.

Purpose

Reagent for measuring magnesium, adsorption indicator

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