144452

tert-Butyl isocyanate

97%

• Synonym(s): 2-isocyanato-2-methylpropane
• Linear Formula: (CH₃)₃CN=C=O
• CAS Number: 1609-86-5
• Molecular Weight: 99.13
• Beilstein: 969479
• EC Number: 216-544-9
• MDL number: MFCD00002035
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848656
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• form: liquid
• 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.

Safety Information

• Pictograms: GHS02,GHS06,GHS08,GHS05
• Signal Word: Danger
• Hazard Statements: H225,H302,H314,H317,H330,H334,H335
• Precautionary Statements: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 1 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 2 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1 - STOT SE 3
• Target Organs: Respiratory system
• Supplementary Hazards: EUH014
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 24.8 °F - closed cup
• Flash Point(C): -4 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves