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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:
1609-86-5
Molecular Weight:
99.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24848656
EC Number:
216-544-9
Beilstein/REAXYS Number:
969479
MDL number:
MFCD00002035
Assay:
97%
Form:
liquid
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Quality Segment

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.)

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

EUH014

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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