2,5-dinitrophenol

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:329-71-5

MDL number:MFCD00007108

EINECS number:206-348-1

RTECS number:SL2900000

BRN number:None

PubChem number:28493584

Physical property data

1. Physical property data

Character: yellow needle crystal

Density (g/mL, 25/ 4℃): Not available

Relative vapor density (g/mL, air=1): Not available

Melting point (ºC): 106-109

Boiling point (ºC, normal pressure): Not available

Boiling point (ºC, 5.2kPa): Not available

Refractive index: Not available

Flash point (ºC): Not available

Specific rotation ( º): Not available

Autoignition point or ignition temperature (ºC): Not available

Vapor pressure (kPa, 25ºC): Not available Use

Saturated vapor pressure (kPa, 60ºC): Not available

Heat of combustion (KJ/mol): Not available

Critical temperature (ºC): Not available

Critical pressure (KPa): Not available

Oil and water ( Log value of the partition coefficient (octanol/water): not available

Explosion upper limit (%, V/V): not available

Explosion Lower limit (%, V/V): Not available

Solubility: soluble in ether; hot ethanol and benzene, slightly soluble in water. Can evaporate with water vapor.

Toxicological data

2. Toxicological data:

Acute toxicity: LD50: 150 mg/kg (rat intraperitoneal); 273 mg/kg (mouse intraperitoneal Inside) .

Ecological data

3. Ecological data:

1. Other harmful effects: This substance is harmful to the environment. Do not let this substance enter the environment. Special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 41.22

2. Molar volume (cm³/mol): 111.5

3. Isotonic specific volume (90.2K): 333.2

4. Surface tension (dyne /cm): 79.6

5. Polarizability (10^-24cm³): 16.34

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 4

6. Topological molecule polar surface area 112

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 220

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

None yet

Synthesis method

Obtained from nitration of m-nitrophenol. Heat 40% nitric acid to 40°C, slowly add m-nitrophenol, and complete the addition in about 3 hours at 40-60°C. Then heat at 50-70°C for 1 hour, cool and pour off the dilute acid solution, pulverize the solid, wash with ice water to remove the acidity, and filter to dryness. The obtained product was dissolved in cold ethanol, and the insoluble material was 2,5-dinitrophenol.

Purpose

Used in organic synthesis. Used as an indicator in chemical analysis, its 70% ethanol solution is prepared into a 0.05-0.1% solution or its saturated aqueous solution is used as an indicator. The pH discoloration range is 4.0 (colorless) – 5.8 (yellow).