260630
tert-Butyl isocyanide
98%
Synonym(s):
1,1-Dimethylethyl isocyanide, 1-tert-Butylisonitrile, 2-Isocyano-2-methylpropane, t-Butylisonitrile, tert-Butylisonitrile
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About This Item
Linear Formula:
(CH3)3CNC
CAS Number:
Molecular Weight:
83.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
230-553-5
Beilstein/REAXYS Number:
1903156
MDL number:
Assay:
98%
Form:
liquid
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.)
functional group
amine, isonitrile
SMILES string
CC(C)(C)[N+]#[C-]
InChI
1S/C5H9N/c1-5(2,3)6-4/h1-3H3
InChI key
FAGLEPBREOXSAC-UHFFFAOYSA-N
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.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 2 Inhalation - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
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
Regulatory Information
危险化学品
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Issa Yavari et al.
Molecular diversity, 8(4), 431-435 (2004-12-23)
The adduct produced in the reaction between tert-butyl isocyanide and dialkyl acetylenedicarboxylates was trapped by alkyl 2-arylamino-2-oxo-acetates. When the aryl group is 2-methyl-6-nitrophenyl or 2,6-di-isopropylphenyl, the product exists as two stable rotamers at room temperature as a result of restricted
Graham A Bowmaker et al.
Dalton transactions (Cambridge, England : 2003), (13)(13), 1710-1720 (2008-03-21)
Single-crystal structural characterizations confirm the existence of the unusual 1 : 4 copper(I) halide : unidentate ligand adducts [Cu(CNt-Bu)4]X for X = Cl, Br (two forms), I (the chloride and one form of the bromide being solvated) with crystal packing
Habib Nasri et al.
Inorganic chemistry, 43(9), 2932-2942 (2004-04-27)
The addition of the strongly pi-bonding ligands CO or tert-butyl isocyanide to the low-spin five-coordinate iron(II) nitrite species [Fe(TpivPP)(NO2)]- (TpivPP = picket fence porphyrin) gives two new six-coordinate species [Fe(TpivPP)(NO2)(CO)]- and [Fe(TpivPP)(NO2)(t-BuNC)]-. These species have been characterized by single-crystal structure
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 260630-5G | 04061826097298 |
| 260630-1G | 04061826097281 |