N,N-diethyl m-toluamide

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:134-62-3

MDL number:MFCD00009046

EINECS number:205-149-7

RTECS number:XS3675000

BRN number:2046711

PubChem number:24899307

Physical property data

1. Properties: light yellow liquid.

2. Relative vapor density (g/mL, air=1): 0.996

3. Boiling point (ºC, normal pressure): 160

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Toxicological data

Rat acute oral LD50: 200 (mg/kg). Rats were fed feed containing 1% dose for 200 days without harm.

Ecological data

None

Molecular structure data

Molecular property data:

1. Molar refractive index: 58.72

2. Molar volume (cm³/mol): 194.0

3. Isotonic specific volume (90.2K): 475.1

4. Surface tension (3.0 dyne/cm): 35.9

5. Polarizability (0.5 10^-24cm³): 23.28

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 20.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 187

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

Basic Properties

Colorless to amber liquid. The boiling point is 160℃ (2.53kPa), 111℃ (133Pa), the relative density is 0.996 (20/4℃), and the refractive index is 1.5206 (25℃). Insoluble in water, miscible with ethanol, ether, benzene, propylene glycol and cottonseed oil.

Storage method

Packed in tin drums or aluminum drums.

Synthesis method

Brief description of the production method

Obtained from the reaction of m-toluoyl chloride and diethylamine. Industrial products contain 5%-15% isomers

Purpose

Usage

Insect repellent, effective in preventing mosquitoes. Preparation: 70%, 95% liquid.