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Merck
CN

260630

Sigma-Aldrich

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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About This Item

线性分子式:
(CH3)3CNC
CAS号:
分子量:
83.13
Beilstein:
1903156
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

质量水平

方案

98%

表单

liquid

折射率

n20/D 1.376 (lit.)

沸点

91 °C (lit.)

密度

0.735 g/mL at 25 °C (lit.)

官能团

amine
isonitrile

SMILES字符串

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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一般描述

据报道, 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

应用

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

象形图

FlameSkull and crossbones

警示用语:

Danger

危险声明

危险分类

Acute Tox. 2 Inhalation - Flam. Liq. 2

储存分类代码

3 - Flammable liquids

WGK

WGK 3

闪点(°F)

28.4 °F - closed cup

闪点(°C)

-2 °C - closed cup

个人防护装备

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

法规信息

危险化学品

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分析证书(COA)

Lot/Batch Number

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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
Journal of the Chemical Society. Chemical Communications, 189-189 (1987)
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

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