3-Methoxypropionitrile 3-Methoxypropionitrole

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:110-67-8

MDL number:MFCD00001958

EINECS number:203-790-7

RTECS number:TZ4870000

BRN number:1739284

PubChem number:24883911

Physical property data

1. Properties: colorless or light yellow liquid.

2. Density (g/mL, 20/4℃): 0.9397

3. Melting point (ºC): -63

4. Boiling point (ºC , normal pressure): 163~165

5. Refractive index (20ºC): 1.4043

6. Flash point (ºC): 61

7. Dissolution Properties: Soluble in ethanol and ether.

Toxicological data

1. Acute toxicity: Rat inhale LD50: 4390mg/Kg; Mouse peritoneum LD50: 2900mg/Kg

The mice passed the mouth LD50: 3200mg/kg; the rabbit skin LD50:> 10ml/kg

Ecological data

This substance is slightly harmful to water bodies. Do not let this product come into contact with groundwater, waterways or sewage systems.

Molecular structure data

1. Molar refractive index: 22.23

2. Molar volume (cm³/mol): 94.3

3. Isotonic specific volume (90.2K ): 219.2

4. Surface tension (dyne/cm): 29.2

5. Polarizability (10^-24cm³): 8.81

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 33

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 61.2

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

It does not decompose under normal temperature and pressure. Avoid contact with oxides. Flammable and toxic, avoid contact with eyes and skin.

Storage method

Store in a cool, ventilated warehouse, away from fire. Keep container tightly sealed and store away from oxidizing agents. Emergency release equipment and suitable containment materials should be available.

Synthesis method

None yet

Purpose

Used as a solvent for plastic resin polymerization.