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About This Item
Linear Formula:
(CH3)3CN=C=O
CAS Number:
Molecular Weight:
99.13
Beilstein:
969479
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Quality Level
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.)
functional group
amine
isocyanate
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
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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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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
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