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260630

Sigma-Aldrich

tert-Butyl isocyanide

98%

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Synonym(s):
1,1-Dimethylethyl isocyanide, 1-tert-Butylisonitrile, 2-Isocyano-2-methylpropane, t-Butylisonitrile, tert-Butylisonitrile
Linear Formula:
(CH3)3CNC
CAS Number:
Molecular Weight:
83.13
Beilstein/REAXYS Number:
1903156
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

98%

form

liquid

refractive index

n20/D 1.376 (lit.)

bp

91 °C (lit.)

density

0.735 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)[N+]#[C-]

InChI

1S/C5H9N/c1-5(2,3)6-4/h1-3H3

InChI key

FAGLEPBREOXSAC-UHFFFAOYSA-N

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1 of 4

This Item
419885416738144452
vibrant-m

260630

tert-Butyl isocyanide

vibrant-m

419885

tert-Butyl propiolate

vibrant-m

416738

S-tert-Butyl thioacetate

vibrant-m

144452

tert-Butyl isocyanate

Quality Level

200

Quality Level

200

Quality Level

200

Quality Level

100

density

0.735 g/mL at 25 °C (lit.)

density

0.919 g/mL at 25 °C (lit.)

density

0.927 g/mL at 25 °C (lit.)

density

0.868 g/mL at 25 °C (lit.)

form

liquid

form

liquid

form

liquid

form

liquid

bp

91 °C (lit.)

bp

52-53 °C/27 mmHg (lit.)

bp

135-136 °C (lit.)

bp

85-86 °C (lit.)

refractive index

n20/D 1.376 (lit.)

refractive index

n20/D 1.418 (lit.)

refractive index

n20/D 1.453 (lit.)

refractive index

n20/D 1.386 (lit.)

General description

Carbon dative bond formation by tert-butyl isocyanide on the germanium (100) surface has been reported. It also forms complexes with metals and inserts into metal-carbon bonds to form iminoacyls.

Application

tert-Butyl isocyanide was used in the synthesis of coumarines, 4H-chromenes and isoxazolines. It was also used to trap 2-cyclopropylidene-1,3-diones.

pictograms

FlameSkull and crossbones

signalword

Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

28.4 °F - closed cup

flash_point_c

-2 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Customers Also Viewed

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Synthesis, 995-995 (1990)
Bonggeun Shong et al.
Journal of the American Chemical Society, 139(25), 8758-8765 (2017-06-01)
Reactions of the (100) surfaces of Ge and Si with organic molecules have been generally understood within the concept of "dimers" formed by the 2 × 1 surface reconstruction. In this work, the adsorption of tert-butyl isocyanide on the Ge(100)-2
Bonggeun Shong et al.
Journal of the American Chemical Society, 136(16), 5848-5851 (2014-04-15)
Carbon dative bond formation between an organic molecule and a semiconductor surface is reported here for the first time. Our studies show that the adsorption of tert-butyl isocyanide on the (100) surface of germanium, measured using Fourier transform infrared spectroscopy
David Sýkora et al.
Journal of separation science, 43(22), 4178-4190 (2020-09-21)
Eight different stationary phases based on two aminopropyl silicas of different brands suitable for multimodal chromatography applications have been prepared by a four-component Ugi reaction. The intention was to synthesize stationary phases significantly differing in their properties hereby demonstrating flexibility
Xiao Jiang et al.
Organic letters, 16(13), 3492-3495 (2014-06-24)
A novel palladium-catalyzed formylation of aryl halides with isocyanide in the presence of Et3SiH has been demonstrated, which provides a strategy toward important aldehydes with moderate to excellent yield. The advantage of this reaction includes milder conditions, convenient operation, lower

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