144452
tert-Butyl isocyanate
97%
Synonym(s):
2-isocyanato-2-methylpropane
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About This Item
Linear Formula:
(CH3)3CN=C=O
CAS Number:
Molecular Weight:
99.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
216-544-9
Beilstein/REAXYS Number:
969479
MDL number:
Assay:
97%
Form:
liquid
Quality Segment
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
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.
signalword
Danger
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
supp_hazards
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
24.8 °F - closed cup
flash_point_c
-4 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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