Chemical Property of 1,4-Dicyanobutane
Chemical Property:
- Appearance/Colour:clear colorless to slightly yellow liquid
- Vapor Pressure:0.01 mm Hg ( 40 °C)
- Melting Point:1-3 °C(lit.)
- Refractive Index:1.438
- Boiling Point:296.1 °C at 760 mmHg
- Flash Point:149 °C
- PSA：47.58000
- Density:0.945 g/cm3
- LogP:1.59396
- Storage Temp.:Store below +30°C.
- Solubility.:50g/l
- Water Solubility.:90 g/L (20 ºC)
- XLogP3:-0.3
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:2
- Rotatable Bond Count:3
- Exact Mass:108.068748264
- Heavy Atom Count:8
- Complexity:113
- Transport DOT Label:Poison
- Purity/Quality:
-
99.9% *data from raw suppliers
Adipodinitrile *data from reagent suppliers
Safty Information:
- Pictogram(s):
T
- Hazard Codes:T
- Statements:
25-36/37/38-36/38-23/25
- Safety Statements:
26-36-45-39
- MSDS Files:
-
SDS file from LookChem
Useful:
- Chemical Classes:Nitrogen Compounds -> Nitriles
- Canonical SMILES:C(CCC#N)CC#N
- Inhalation Risk:A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
- Effects of Short Term Exposure:The substance is irritating to the eyes and skin. Exposure could cause convulsions, unconsciousness and death. Medical observation is indicated.
- Effects of Long Term Exposure:The substance may have effects on the blood and adrenals. This may result in anaemia and tissue lesions.
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General Description
1,4-Dicyanobutane, also known as adiponitrile, is a key intermediate in the production of nylon 6,6 and can be synthesized through various methods, including catalytic ammoxidation of cyclohexanol or cyclohexanone, electrochemical conversion of glutamic acid, and nickel-catalyzed hydrocyanation of 3-pentenenitrile. These approaches highlight its industrial significance and the ongoing development of sustainable and efficient synthetic routes.
