553344

Isopropyl isocyanide

97%

• Synonym(s): 2-Isocyanopropane, 2-Propyl isonitrile, Isopropyl isonitrile
• Linear Formula: (CH₃)₂CHNC
• CAS Number: 598-45-8
• Molecular Weight: 69.11
• MDL number: MFCD00015503
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879320
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• refractive index: n20/D 1.371 (lit.)
• bp: 75 °C (lit.)
• density: 0.733 g/mL at 25 °C (lit.)
• functional group: amine; isonitrile
• storage temp.: 2-8°C
• SMILES string: CC(C)[N+]#[C-]
• InChI: 1S/C4H7N/c1-4(2)5-3/h4H,1-2H3
• InChI key: MJZUMMKYWBNKIP-UHFFFAOYSA-N

Description

General description

Isopropyl isocyanide is an alkyl isocyanide.

Application

Isopropyl isocyanide may be used in the preparation of:

• Ugi ligand A2C11I1, which is employed in the solid-phase Ugi synthesis.[1]
• Pentafluorophenyl (PFP) functional monomers, via Passerini reaction.[2]
• Dinuclear copper complex [Cu₂(μ-PiPr₂bipy)₂{μ-CNCH(CH₃)₂}](PF₆)₂ [PiPr₂bipy = 6-(diisopropylphosphanyl)-2,2′-bipyridine].[3]
• (3E)-(Imino)thiaisoindoline 1,1-dioxide derivative.[4]
• N,N′-diisopropylcarbodiimide (DIC) analog via reaction with propan-2-amine.[5]
• 1-t-butyl-2-isopropyldiaziridinone via reaction with 2-methyl-2-nitrosopropane[6]
• isopropyl isocyanate via reaction with ozone[7]
• 1-phthalimidoazetidines via [1+3]cycloaddition reaction with 1-pththalimidoaziridines[8]

Safety Information

• pictograms: GHS02,GHS06
• signalword: Danger
• hcodes: H225,H301 + H311 + H331
• pcodes: P210 - P233 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 69.1 °F - closed cup
• flash_point_c: 20.6 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter