260630

tert-Butyl isocyanide

98%

• Synonym(s): 1,1-Dimethylethyl isocyanide, 1-tert-Butylisonitrile, 2-Isocyano-2-methylpropane, t-Butylisonitrile, tert-Butylisonitrile
• Linear Formula: (CH₃)₃CNC
• CAS Number: 7188-38-7
• Molecular Weight: 83.13
• Beilstein: 1903156
• EC Number: 230-553-5
• MDL number: MFCD00000002
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855763
• NACRES: NA.22

Properties

• Quality Level: 200
• Assay: 98%
• form: liquid
• refractive index: n20/D 1.376 (lit.)
• bp: 91 °C (lit.)
• density: 0.735 g/mL at 25 °C (lit.)
• functional group: amine; isonitrile
• SMILES string: CC(C)(C)[N+]#[C-]
• InChI: 1S/C5H9N/c1-5(2,3)6-4/h1-3H3
• InChI key: FAGLEPBREOXSAC-UHFFFAOYSA-N

Description

General description

Carbon dative bond formation by tert-butyl isocyanide on the germanium (100) surface has been reported. It also forms complexes with metals and inserts into metal-carbon bonds to form iminoacyls.

Application

tert-Butyl isocyanide was used in the synthesis of coumarines, 4H-chromenes and isoxazolines. It was also used to trap 2-cyclopropylidene-1,3-diones.

Safety Information

• Pictograms: GHS02,GHS06
• Signal Word: Danger
• Hazard Statements: H225,H330
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P304 + P340 + P310
• Hazard Classifications: Acute Tox. 2 Inhalation - Flam. Liq. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 28.4 °F - closed cup
• Flash Point(C): -2 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves