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

• Assay: 97%
• refractive index: n20/D 1.371 (lit.)
• bp: 75 °C (lit.)
• density: 0.733 g/mL at 25 °C (lit.)
• 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.
• Pentafluorophenyl (PFP) functional monomers, via Passerini reaction.
• Dinuclear copper complex [Cu₂(μ-PiPr₂bipy)₂{μ-CNCH(CH₃)₂}](PF₆)₂ [PiPr₂bipy = 6-(diisopropylphosphanyl)-2,2′-bipyridine].
• (3E)-(Imino)thiaisoindoline 1,1-dioxide derivative.
• N,N′-diisopropylcarbodiimide (DIC) analog via reaction with propan-2-amine.
• 1-t-butyl-2-isopropyldiaziridinone via reaction with 2-methyl-2-nitrosopropane
• isopropyl isocyanate via reaction with ozone
• 1-phthalimidoazetidines via [1+3]cycloaddition reaction with 1-pththalimidoaziridines

Safety Information

• Pictograms: GHS02,GHS06
• Signal Word: Danger
• Hazard Statements: H225,H301 + H311 + H331
• Precautionary Statements: 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 Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 69.1 °F - closed cup
• Flash Point(C): 20.6 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves