Structural formula
| Business number | 02G3 |
|---|---|
| Molecular formula | C7H8N2O3 |
| Molecular weight | 168.15 |
| label |
2-methoxy-5-nitroaniline, o-Amino-p-nitroanisole, 5-nitro-o-methoxyaniline, 2-amino-4-nitroanisole, 2-Methoxy-5-nitroaniline, 5-Nitro-o-anisidine, Ch3oc6h3(no2)nh2 |
Numbering system
CAS number:99-59-2
MDL number:MFCD00007261
EINECS number:202-770-5
RTECS number:BZ7175000
BRN number:879620
PubChem number:24849912
Physical property data
1. Properties: Orange-red needle-shaped crystals.
2. Density (g/mL, 20℃): 1.2068
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 117-119
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, kPa): Undetermined
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7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20.2ºC): Not determined
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) distribution coefficient: Undetermined
17. Explosion upper limit (%, V /V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Easily soluble in acetone, methanol, ethanol, benzene, Ethyl acetate, etc. Insoluble in petroleum ether.
Toxicological data
1. Acute toxicity: Rat oral LD5O: 2250mg/kg
Mouse oral LD5O: 1060mg/kg
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 43.71
2. Molar volume (cm3/mol): 127.5
3. Isotonic specific volume (90.2K ): 345.2
4. Surface tension (dyne/cm): 53.6
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability��17.32
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: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 81.1
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 169
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 strong oxidizing agents.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
It is obtained by methoxylation and reduction of 2,4-dinitrochlorobenzene. 1. Methoxylation Add molten 2,4-dinitrochlorobenzene to the reaction pot, and then add methanol. Heat to about 40°C, add 30% sodium hydroxide solution quickly and then slowly within 4 hours, and control the temperature at 58-60°C. The reaction reaches the end point when the phenolphthalein test paper shows an orange-red color to the feed liquid, and 2,4-dinitroanisole is obtained with a yield of 95%. 2. Reduction: Cool the above methoxylation product to 30°C, add 18% sodium disulfide solution quickly and then slowly within 4 hours, and the reaction temperature gradually increases from 30°C to 50°C. After adding, keep it warm at 50-55℃ for half an hour. After the reaction is completed, cool to 20°C, press filter, wash and dry to obtain 2-methoxy-5-nitroaniline. The yield is 76%.
Purpose
Used as dyes, pigments and organic synthesis intermediates
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