N-acetyl p-toluidide p-Acetotoluidide

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:103-89-9

MDL number:MFCD00008677

EINECS number:203-155-4

RTECS number:AN2930000

BRN number:607036

PubChem number:24858558

Physical property data

1. Properties: Colorless needle-like crystals.

2. Density (g/mL, 25/4℃): 1.212

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

4. Melting point (ºC): 153

5. Boiling point (ºC, normal pressure): 307 6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

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8. Flash point (ºC): 168

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. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper limit of explosion (%, V/V): Undetermined

18. Explosion Lower limit (%, V/V): Undetermined

19. Solubility: Soluble in ethanol, ether, ethyl acetate, slightly soluble in water, benzene and plain gasoline.

Toxicological data

Acute toxicity: Mouse oral LD50: 980mg/kg;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 45.34

2. Molar volume (cm³/mol): 138.7

3. Isotonic specific volume (90.2K ): 348.6

4. Surface tension (dyne/cm): 39.8

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 17.97

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: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 29.1

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 137

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

Avoid contact with oxides.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

Stir 23g p-toluidine with 500ml water and 18ml concentrated hydrochloric acid and heat to 50°C, then add 29ml acetic anhydride and a solution of 30g sodium acetate dissolved in 100ml water, stir vigorously, cool with ice water, filter out the product, wash with water, and dry to obtain About 20g of p-methylacetanilide.

Purpose

Organic synthesis and organic synthesis intermediates.