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Merck
CN

553344

Isopropyl isocyanide

97%

Synonym(s):

2-Isocyanopropane, 2-Propyl isonitrile, Isopropyl isonitrile

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About This Item

Linear Formula:
(CH3)2CHNC
CAS Number:
598-45-8
Molecular Weight:
69.11
NACRES:
NA.22
PubChem Substance ID:
24879320
UNSPSC Code:
12352100
MDL number:
MFCD00015503
Assay:
97%

Key Documents

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InChI

1S/C4H7N/c1-4(2)5-3/h4H,1-2H3

SMILES string

CC(C)[N+]#[C-]

InChI key

MJZUMMKYWBNKIP-UHFFFAOYSA-N

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

Quality Level

100

Related Categories

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

pictograms

FlameSkull and crossbones
GHS02,GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCS8953
MKCQ7244
MKCN4656
MKCL6249
MKCJ0577

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A synthetic Protein G adsorbent based on the multi-component Ugi reaction for the purification of mammalian immunoglobulins.
Qian J, et al.
Journal of Chromatography. B, Biomedical Applications, 898, 15-23 (2012)
Reaction of Alkyl Isocyanides with Ozone. A New Isocyanate Synthesis1
Feuer H, et al.
The Journal of Organic Chemistry, 23(8), 1107-1109 (1958)
[1+ 3] Cycloadditions of isocyanides to azomethine ylides; synthesis and properties of 1-phthalimidoazetidines
Charrier J, et al.
The Journal of Organic Chemistry, 48(4), 481-486 (1983)
Synthesis of Carbodiimides by I2/CHP-Mediated Cross-Coupling Reaction of Isocyanides with Amines under Metal-Free Conditions.
Zhu TH, et al.
Organic Letters, 17(8), 1974-1977 (2015)
Diaziridinones. IV. Formation by condensation of alkyl isocyanide with nitrosoalkane. Evidence for a carbodiimide N-oxide
Greene DF and Pazos FJ
The Journal of Organic Chemistry, 34(8), 2269-2274 (1969)
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