N,N-diethyl 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:91-67-8

MDL number:MFCD00035795

EINECS number:202-089-3

RTECS number:CX9869375

BRN number:None

PubChem number:24854253

Physical property data

1. Properties: colorless or light yellow liquid.

2. Density (g/mL, 25/4℃): 0.923

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): 231

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: 1.5361

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure ( kPa, 60ºC): 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. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Miscible with ethanol and ether.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 54.65

2. Molar volume (cm³/mol): 176.7

3. Isotonic specific volume (90.2K ): 426.5

4. Surface tension (dyne/cm): 33.9

5. Polarizability (10^-24cm³): 21.66

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: 1

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 118

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain stereocenters of atoms: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Toxic, its toxicity is slightly less than that of N,N-dimethylaniline (the oral LD ​​of N,N-dimethylaniline in rabbits is 280 mg/kg), but it is still Violent drugs. Inhalation of its vapor and absorption through the skin can cause poisoning. It is hematologically toxic, neurotoxic and carcinogenic. Protective measures should be strengthened to make production equipment airtight and the site well ventilated. Operators should wear protective equipment.
　

Storage method

This product should be sealed and stored in a cool, dark place.

It is sealed and packaged in iron drums, with a net weight of 185kg per drum. Store and transport toxic and flammable chemicals according to regulations

Synthesis method

Place a quantitative amount of aniline, ethyl chloride, and caustic soda in a pressure cooker and heat it for 3 hours. Then steam distillate the crude product and add phthalic anhydride for acylation. to remove incomplete reaction products, and then distill and dehydrate to obtain the finished product.

Purpose

Dye intermediates. Used to produce dyes such as weakly acidic brilliant blue BA. It can also be used to synthesize the positive color agent CD-2 for color development.