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144452 Sigma-Aldrich

tert-Butyl isocyanate

97%

Synonym: 2-isocyanato-2-methylpropane

  • CAS Number 1609-86-5

  • Linear Formula (CH3)3CN=C=O

  • Molecular Weight 99.13

  •  Beilstein/REAXYS Number 969479

  •  EC Number 216-544-9

  •  MDL number MFCD00002035

  •  PubChem Substance ID 24848656

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, Chemical Synthesis, Isocyanates, Nitrogen Compounds - Organic Building Blocks, Organic Building Blocks More...
Quality Level   100
assay   97%
refractive index   n20/D 1.386 (lit.)
bp   85-86 °C (lit.)
density   0.868 g/mL at 25 °C (lit.)
SMILES string   CC(C)(C)N=C=O
InChI   1S/C5H9NO/c1-5(2,3)6-4-7/h1-3H3
InChI key   MGOLNIXAPIAKFM-UHFFFAOYSA-N

Description

General description

tert-Butyl isocyanate undergoes [2+2] cycloaddition reaction with phosphagermaallene to yield 1-oxa-2-germacyclobutane. It also undergoes cycladdition reaction with molybdenum dioxo bis(aryloxide) complex to form novel 16-electron molybdenum oxo-imido bis(aryloxide) complex. It reacts with aluminum dihydride in the presence of trace amounts of water to yield terminal hydroxide containing dinuclear alumoxane.

Application

tert-Butyl isocyanate can be used:
• In the preparation of isocyanate-treated graphite oxides (iGOs) which can be exfoliated in polar aprotic solvents to obtain graphene oxide nanoplatelets.
• To modify metal-organic frameworks, postsynthetically, to obtain microporous urea-functionalized frameworks.
• To the synthesis of terminal hydroxide containing dinuclear alumoxane from aluminum dihydride.

Packaging

5, 25, 100 g in glass bottle

Safety & Documentation

Safety Information

Signal word 
Danger
Target organs 
Respiratory system
Supplemental Hazard Statements 
EUH014
RIDADR 
UN 2484 3(6.1) / PGI
WGK Germany 
WGK 1
Flash Point(F) 
24.8 °F - closed cup
Flash Point(C) 
-4 °C - closed cup

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Protocols & Articles
Peer-Reviewed Papers
15

References

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