260630
叔丁基异氰酸酯
98%
别名:
1,1-二甲基乙基异氰化物, 1-叔丁基异腈, 2-异氰基-2-甲基丙烷, 叔丁基异腈
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线性分子式:
(CH3)3CNC
化学文摘社编号:
分子量:
83.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
230-553-5
Beilstein/REAXYS Number:
1903156
MDL number:
产品名称
叔丁基异氰酸酯, 98%
InChI key
FAGLEPBREOXSAC-UHFFFAOYSA-N
InChI
1S/C5H9N/c1-5(2,3)6-4/h1-3H3
SMILES string
CC(C)(C)[N+]#[C-]
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
Quality Level
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Application
叔丁基异氰酸酯被用于合成 香豆素、4H-色烯 和 异恶唑啉。它还被用于捕获2-环亚丙基-1,3-二酮。
General description
据报道， 叔丁基异氰酸酯在锗（100）表面形成碳配价键。它还与金属形成络合物，并插入金属-碳键中，形成亚氨基酰基。
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 2 Inhalation - Flam. Liq. 2
存储类别
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
法规信息
危险化学品
此项目有
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
Synthesis of coumarines and 4H-chromenes through the reaction of tert-butyl isocyanide and dialkyl acetylenedicarboxylates in presence of 2-hydroxybenzaldehydes.
Yavari I, et al.
Synthesis, 5, 679-682 (2004)
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
D Bandyopadhyay et al.
Biochemistry, 35(5), 1500-1505 (1996-02-06)
The kinetics of tert-butyl isocyanide binding to the heme protein horseradish peroxidase (HRP) at 22 degrees C was examined on all time scales, from minutes to picoseconds, in aqueous borate buffer at pH 9.08. Unlike myoglobin (Mb) or hemoglobin, HRP
Journal of the Chemical Society. Chemical Communications, 189-189 (1987)
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