Isopropyl isocyanide , 97% , 598-45-8

CAS NO.：598-45-8

Empirical Formula: C4H7N

Molecular Weight: 69.11

MDL number: MFCD00015503

PRODUCT Properties

• Boiling point: 75 °C(lit.)
• Density: 0.733 g/mL at 25 °C(lit.)
• refractive index: n20/D 1.371(lit.)
• Flash point: 69 °F
• storage temp.: 2-8°C
• form: liquid
• color: colorless
• Specific Gravity: 0.7596
• Stability: store cold
• InChI: 1S/C4H7N/c1-4(2)5-3/h4H,1-2H3
• InChIKey: MJZUMMKYWBNKIP-UHFFFAOYSA-N
• SMILES: CC(C)[N+]#[C-]

Description and Uses

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

• Symbol(GHS): GHS02,GHS06
• Signal word: Danger
• Hazard statements: H225-H301+H311+H331
• Precautionary statements: P210-P233-P280-P301+P310-P303+P361+P353-P304+P340+P311
• PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
• Hazard Codes: F,T
• Risk Statements: 11-23/24/25
• Safety Statements: 16-23-26-33-36/37/39-45
• RIDADR: UN 1992 3/PG 2
• WGK Germany: 3
• HazardClass: 3, 6.1
• Storage Class: 3 - Flammable liquids
• Hazard Classifications: Acute Tox. 3 Dermal; Acute Tox. 3 Inhalation; Acute Tox. 3 Oral; Flam. Liq. 2
• Limited Quantities: 1.0 L (0.3 gallon) (liquid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)