m-dimethoxybenzene

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:151-10-0

MDL number:MFCD00008384

EINECS number:205-783-4

RTECS number:CZ6474000

BRN number:878582

PubChem number:24888120

Physical property data

1. Physical property data:

1. Character: Liquid, spicy, with orange ether-like odor and fruity aroma.

2. Density (g/mL, 55℃): 1.05

3. Relative vapor density (g/mL, air=1): 4.8

4. Melting point (ºC): -52

5. Boiling point (ºC, normal pressure): 215~217.5

6. Autoignition point or ignition temperature (ºC): 423

7. Saturated vapor pressure (kPa, 85ºC): 0.93

8. Solubility: Insoluble in water, soluble in acetone and benzene.

9. Refractive index at room temperature (n²⁰): 1.525

10. Relative density (25℃, 4℃): 1.0493^40.5

11. Relative density (20℃, 4℃): 1.0580²⁵

Toxicological data

2. Toxicological data:

1. Acute toxicity: mouse abdominal LD50: 900 mg/kg

Ecological data

Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 39.60

2. Molar volume (cm³/mol): 137.4

3. Isotonic specific volume (90.2K): 320.6

4. Surface tension (dyne/cm): 29.6

5. Polarizability (10^-24cm³): 15.70

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: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 18.5

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 83.3

10. Number of isotope atoms: 0

11. Determine the atomic stereocenterQuantity: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain Number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stable under normal temperature and pressure.

2. Incompatible materials: strong oxidizing agents.

3. Exist in smoke.

Storage method

Seal the package and store in a ventilated and dry place. Pay attention to moisture, heat and sunlight.

Synthesis method

1. Obtained from the reaction of resorcinol and dimethyl sulfate.

2. 1,3-Dimethoxybenzene is produced by the reaction of resorcinol and dimethyl sulfate.

Mix resorcinol and sodium hydroxide solution, add dimethyl sulfate under stirring, carry out methylation reaction at 26~30℃, and then separate, wash and distill to obtain the finished product .
In laboratory preparation, add resorcinol (1mol), 200mL methanol and dimethyl sulfate (1mol) to the reactor, stir to dissolve, cool to -5°C in an ice-salt bath, and immediately add 150g of hydrogen The solution prepared by potassium oxide and 350 mL of water reacted violently, and the methylation reaction was completed within 3 minutes. After stirring for 5 minutes, add water to dilute, separate the oil layer, extract the water layer with ether, combine the oil layer and ether extracts, wash with water, dry with anhydrous calcium chloride, recover the ether on a water bath, then heat and distill with direct fire, collect From the 216-218°C fraction, 124g of 1,3-dimethoxybenzene can be obtained, with a yield of 90%.

Purpose

1. 1,3-Dimethoxybenzene is an intermediate in the synthesis of the acaricide fenfenzoate and can also be used to prepare the ultraviolet absorber UV-9.

2. Used as an intermediate for naphthalene dyes, coatings and plastics, and as a fragrance in soaps, detergents and ointments.

3. Used as pharmaceutical intermediates.

4. Used as an organic synthesis intermediate, react with benzoyl chloride under the catalysis of aluminum trichloride to obtain 2,4-dimethoxybenzophenone. This is an intermediate for UV absorber UV-9.