4-Methoxy-o-phenylenediamine 4-Methoxy-o-phenylenediamine

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:102-51-2

MDL number:MFCD00047837

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Appearance: Green flake crystal

2. Density (g/mL, 25℃): Undetermined

3. Relative vapor density (g/mL, air =1): Undetermined

4. Melting point (ºC): 50~52

5. Boiling point (ºC): 167~170

6. Boiling point (ºC, mmHg): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation Degree (º): Undetermined

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

11. Vapor pressure (mmHg, 20ºC): 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

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

19. Solubility: Dissolved in Ether

Toxicological data

Mutagenicity: DNA damage test: human fibroblasts, 50 μmol/L;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 41.40

2. Molar volume (cm³/mol): 117.9

3. Isotonic specific volume (90.2K ): 315.6

4. Surface tension (dyne/cm): 51.1

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 16.41

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 61.3

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 108

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

Avoid contact with oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

It is obtained by reducing 3-nitro-aminomethyl ether with iron powder. Add 60% acetic acid and 3-nitro-p-aminoanisole into the reduction kettle, stir for 0.5h, and add iron powder. Heat to 60°C and keep the reaction until the liquid seepage zone is colorless, which is the end point, and 4-methoxy o-phenylenediamine is generated by reduction.

Purpose

Dye intermediates. Used in the production of dye dispersed fluorescent yellow Ⅱ.