Methyleneaminoacetonitrile Methyleneaminnoacetonitrile

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:109-82-0

MDL number:MFCD00001889

EINECS number:203-709-5

RTECS number:MC1925000

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: Trimer, white rhombohedral crystal

2. Density（g/mL,20℃): Undetermined

3.Relative steam Density (g/mL,Air =1): Undetermined

4. Melting point (ºC): 129

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

6. Boiling point (ºC, kPa): Not determined

7. Refractive index:Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

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

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined

17. Explosion limit (%,V/V): Undetermined

3. Isotonic specific volume (90.2K):189.5

4. Surface tension (dyne/cm): 30.5

5. Polarizability（10^-24 cm³):8.38

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 36.2

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 66.2

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. After decomposition, carbon monoxide, carbon dioxide, nitrogen oxides, and hydrogen cyanide can be produced.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 30℃. Keep container tightly sealed. They should be stored separately from oxidants, alkalis, and alkali metals, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Stir and maintain 0℃, add sodium cyanide aqueous solution to the mixture of formaldehyde and ammonium chloride, halfway through the addition, At the same time, glacial acetic acid was added dropwise. After the addition is completed, stir 1.5h, filter out the precipitate, wash with water, and dry to obtain methylene aminoacetonitrile, yield 61-71% SPAN>.

Purpose

Organic synthesis intermediates.

language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA”>While stirring and maintaining0℃, add formaldehyde and sodium cyanide aqueous solution to In the mixture of ammonium chloride, add glacial acetic acid dropwise during the addition. After the addition, stir 1.5h, filter out the precipitate, wash with water, and dry to obtain methylene aminoacetonitrile. Yield61-71%.

Purpose

Organic synthesis intermediates.