4-Methoxy-o-phenylenediamine 4-Methoxy-o-phenylenediamine
Structural formula
| Business number | 02M6 |
|---|---|
| Molecular formula | C7H10N2O |
| Molecular weight | 138.17 |
| label |
None yet |
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.