N-Ethyl-m-toluidine N-Ethyl-m-toluidine

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:102-27-2

MDL number:MFCD00009027

EINECS number:203-019-4

RTECS number:CY0440000

BRN number:742170

PubChem number:24845784

Physical property data

1. Properties: light yellow oily liquid

2. Density (g/mL, 25℃): 0.9570

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

4. Melting point (ºC): -66

5. Boiling point (ºC, normal pressure): 221

6. Boiling point ( ºC, kPa): Undetermined

7. Refractive index: 1.545

8. Flash point (ºC): 89

9. Specific rotation (º ): Undetermined

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

11. Vapor pressure (mmHg, 25ºC): 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: Insoluble in water and alkali , easily soluble in ethanol and inorganic acids.

Toxicological data

Acute toxicity: Rat oral LD50: 580mg/kg; Mouse oral LD50: 280mg/kg;

Ecological data

This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 45.32

2. Molar volume (cm³/mol): 141.6

3. Isotonic specific volume (90.2K ): 343.5

4. Surface tension (dyne/cm): 34.5

5. Dielectric constant: 2.34

6. Dipole moment (10^-24cm³):

7. Polarizability: 17.96

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: 1

4. Number of rotatable chemical bonds:2

5. Number of tautomers: None

6. Topological molecule polar surface area 12

7. Number of heavy atoms: 10

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8. Surface charge: 0

9. Complexity: 90.7

10. Number of isotope atoms: 0

11. Determine the atomic position Number of stereocenters: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined number of stereocenters of chemical bonds: 0

14. No Determine the number of stereocenters of chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

1. Avoid contact with acids, acid anhydrides, strong oxidants, and acid chlorides.

2. Toxic. Inhalation of vapor and absorption through skin can cause poisoning. Protective measures should be strengthened. Equipment should be sealed. The production site should be well ventilated. Operators should wear protective equipment.
　

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from acids, acid anhydrides, oxidants, acid chlorides, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials. 2. Packed in iron drums, with a net weight of 200kg per drum. It should be protected from fire and moisture during storage. Store and transport toxic and flammable chemicals according to regulations.

Synthesis method

Use m-toluidine as raw material, heat it up in the reaction kettle, add bromoethane solution dropwise at a certain temperature, maintain reflux for several hours, add alkali solution to neutralize, separate, and obtain the finished product through rectification .

Purpose

Dye intermediates. Used to synthesize organic dyes, such as preparing various triphenylmethane acid dyes, azo acid dyes and reactive dyes such as fluorotriazine, yellow disperse dyes for polyester fibers and cationic dyes suitable for acrylic dyeing; synthesize organic pigments , monoazo and disazo organic pigments can be prepared using ETLD as raw material. Can also be used to synthesize color developers.