N,N-diethyl m-toluidine
Structural formula
| Business number | 023Y |
|---|---|
| Molecular formula | C11H17N |
| Molecular weight | 163.26 |
| label |
3-(diethylamino)toluene, N,N-diethyl-3-methylaniline, 3-Methyl-N,N-diethylbenzenamine, 3-(N,N-Diethylamino)toluene, Aromatic nitrogen-containing compounds and their derivatives |
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.
