Structural formula
Business number | 03HU |
---|---|
Molecular formula | C8H15N |
Molecular weight | 125.21 |
label |
heptyl cyanide, Octonitrile, Octylnitrile, 1-cyanoheptane, Heptyl cyanide, Caprylnitrile, 1-Cyanoheptane, Arneel 8, straight chain compounds, intermediates, synthetic raw materials |
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(n20D) :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.