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Merck

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號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

化驗

98%

形狀

liquid

折射率

n20/D 1.376 (lit.)

bp

91 °C (lit.)

密度

0.735 g/mL at 25 °C (lit.)

SMILES 字串

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

InChI

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

InChI 密鑰

FAGLEPBREOXSAC-UHFFFAOYSA-N

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一般說明

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

應用

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

象形圖

FlameSkull and crossbones

訊號詞

Danger

危險聲明

危險分類

Acute Tox. 2 Inhalation - Flam. Liq. 2

儲存類別代碼

3 - Flammable liquids

水污染物質分類(WGK)

WGK 3

閃點(°F)

28.4 °F - closed cup

閃點(°C)

-2 °C - closed cup

個人防護裝備

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


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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
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)
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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