Octanonitrile Octanonitrile

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:124-12-9

MDL number:MFCD00001983

EINECS number:204-682-2

RTECS number:RG9700300

BRN number:1744063

PubChem number:24847865

Physical property data

1. Properties: colorless liquid

2. Melting point (℃): -45.6

3. Boiling point (℃): 205.25

4. Relative density (d²⁰₄₎ : 0.8136

5. Solubility: insoluble in water, slightly soluble in ethanol, soluble in ether

6. Flash point (ºC): 73

7. Refractive index_(n²⁰_D) ：1.4203

Toxicological data

1. Acute toxicity: Mouse oral LD5O: 1764mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 39.02

2. Molar volume (cm³/mol): 153.9

3. Isotonic specific volume (90.2K ): 358.7

4. Surface tension (dyne/cm): 29.4

5. Polarizability (10^-24cm³): 15.47

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: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 23.8

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 88

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. Basic properties: flammable when exposed to open fire. It decomposes under high heat and releases toxic gases.

2. Exist in mainstream smoke.

Storage method

Store sealed in a cool and ventilated place. Keep away from fire and heat sources.

Synthesis method

It is obtained by dehydrating ammonium octanoate soap to obtain amide and then dehydrating it.

Purpose

Used for organicbecome.