2,4-dinitroanisole

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:119-27-7

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: Colorless to yellow needle-like crystals. ^[1]

2. Melting point (℃): 87~89^[2]

3. Boiling point (℃) : Sublimation^[3]

4. Relative density (water = 1): 1.34^[4]

5. Relative Vapor density (air = 1): 6.83^[5]

6. Octanol/water partition coefficient: 1.710^[6]

7. Solubility: Slightly soluble in hot water, soluble in most organic solvents such as ethanol and ether. ^[7]

Toxicological data

1. Acute toxicity: rat oral LDL0: 100mg/kg;

2. Other multiple dose toxicity: rabbit transdermal TDLO: 10800ml/kg/13W-I;

3. Mutagenicity: Salmonella mutation: 10ug/plate;

4. Acute toxicity No data available

5. Irritation No information yet

6. Others^[8] LDLo: 100mg/kg (rat oral )

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

Molecular structure data

1. Molar refractive index: 46.02

2. Molar volume (cm³/mol): 137.1

3. Isotonic specific volume (90.2K ): 374.9

4. Surface tension (dyne/cm): 55.8

5. Polarizability (10^-24cm³): 18.24

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 101

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 233

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

1. Stability^[9] Stable

2. Incompatible substances^[10] Strong oxidants, strong alkali

3. Conditions to avoid contact^[11] Friction, impact, heat

4. Hazards of aggregation^[12] No aggregation

5. Decomposition products^[13] Nitrogen oxides

Storage method

Storage Precautions^[14] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 35℃. The packaging is sealed. They should be stored separately from oxidants and alkalis, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. Suitable materials should be available in the storage area to contain spills.

Synthesis method

It is obtained by methoxylation of 2,4-dinitrochlorobenzene. Put 900kg of molten 2,4-dinitrochlorobenzene and 1800L of methanol into the reaction pot, heat it to about 40°C, add 579kg of 30% sodium hydroxide solution first quickly and then slowly within 4 hours, and control the temperature at 58- 60℃. Take the feed solution and test it on the phenolphthalein test paper. When it turns orange-red, it is the end point of the reaction. After post-treatment operation, 2,4-dinitroanisole is obtained. The yield is 95%.

Purpose

1. Used as a dye intermediate for the production of red base RC (2-methoxy-5-nitroaniline hydrochloride). This product is also an insecticide egg killer and is effective against moths, lice, cicadas, and insect eggs or beetles in furniture and carpets.

2. Used as dye intermediates and insecticide eggs. ^[15]