N-Nitrosodimethylamine N-Nitrosodimethylamine

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:62-75-9

MDL number:MFCD00002053

EINECS number:200-549-8

RTECS number:IQ0525000

BRN number:1738979

PubChem number:24897656

Physical property data

1. Properties: light yellow oily liquid.

2. Density (g/mL, 20/4℃): 1.006

3. Boiling point (ºC, normal pressure): 151

4. Boiling point (ºC, 774mmHg): 153 (103kpa), 67.1ºC (5.32kpa)

5. Refractive index (20ºC): 1.4368

6. Flash point (ºC): 61

7. Vapor pressure (kPa, 20ºC): 5mmHg

8. Solubility: Easily soluble in water, alcohol, ether, and soluble in chloroform.

Toxicological data

It is a highly toxic substance. Toxic if inhaled or in contact with skin.

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 19.24

2. Molar volume (cm³/mol): 74.9

3. Isotonic specific volume (90.2K ): 176.0

4. Surface tension (dyne/cm): 30.4

5. Polarizability (10^-24cm³): 7.63

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: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 32.7

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 34.6

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

1. It is flammable in case of open flame or high heat. Can react with strong oxidizing agents. It decomposes when heated and releases toxic nitrogen oxide fumes.

2. Exists in burley tobacco leaves, mainstream smoke, and side stream smoke.

3. To the eyes and skin�Stimulating effect. Exposure may cause liver, kidney, and liver damage, and may be fatal if ingested, inhaled, or absorbed through the skin.

Storage method

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

Synthesis method

1. Stir and heat 245g dimethylamine hydrochloride and hydrochloric acid to 70-75°C, add a slurry of 235g sodium nitrite in 150ml water, and add hydrochloric acid at the same time to make the reactant just acidic. After the addition is completed, heat for 2 hours, then distill to nearly dryness, add water and evaporate to dryness again, combine the distillates and saturate them with 300g of potassium carbonate, take the upper layer and fractionate under reduced pressure to obtain nearly 200g of N-nitrosodimethylamine, with a yield of nearly 90 %.

2. Tobacco: BU, 2.

Purpose

Used as solvent and organic synthesis intermediate. Used in the manufacture of rocket fuel, antioxidants, etc.