N-BUTYLISOCYANIDE

The Butane, 1-isocyano-, with the CAS registry number 2769-64-4, is also known as n-Butylisocyanide. It belongs to the product categories of Isocyanides; Nitrogen Compounds; Organic Building Blocks. Its EINECS number is 220-458-7. This chemical's molecular formula is C₅H₉N and molecular weight is 83.13. What's more, its systematic name is 1-isocyanobutane. It should be stored at the temperature of 0-6°C.

Physical properties of Butane, 1-isocyano- are: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 4.36 Å².

Preparation: this chemical can be prepared by 1-isothiocyanato-butane at the ambient temperature. This reaction will need reagents SmI₂, HMPA and solvent tetrahydrofuran with the reaction time of 0.5 hour. The yield is about 79%.

Uses of Butane, 1-isocyano-: it can be used to produce (4,5-bis-methylsulfanyl-[1,3]dithiol-2-ylidene)-butyl-amine at the ambient temperature. It will need solvent CCl₄. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. It is harmful by inhalation, in contact with skin and if swallowed. What's more, it is irritating to respiratory system. You must keep the container tightly closed. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [C-]#[N+]CCCC
(2)InChI: InChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3
(3)InChIKey: FSBLVBBRXSCOKU-UHFFFAOYSA-N