91095
三氯乙酰异氰酸酯
purum, ≥97.0% (GC)
别名:
2,2,2-Trichloroacetyl isocyanate, alpha,alpha,alpha-Trichloroacetyl isocyanate
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关于此项目
线性分子式:
Cl3CCONCO
化学文摘社编号:
分子量:
188.40
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
221-165-7
Beilstein/REAXYS Number:
971201
MDL number:
Assay:
≥97.0% (GC)
Form:
liquid
grade
purum
Quality Level
assay
≥97.0% (GC)
form
liquid
refractive index
n20/D 1.480
bp
80-85 °C/20 mmHg (lit.)
density
1.581 g/mL at 25 °C (lit.)
functional group
amine, chloro, isocyanate
storage temp.
2-8°C
SMILES string
ClC(Cl)(Cl)C(=O)N=C=O
InChI
1S/C3Cl3NO2/c4-3(5,6)2(9)7-1-8
InChI key
GRNOZCCBOFGDCL-UHFFFAOYSA-N
General description
三氯乙酰异氰酸酯(TAI)是有机合成中的多功能合成砌块。可用作原位衍生化试剂，用于酚、醇和胺类物质的鉴定。
Application
- 一锅法2-酰基氨基苯并咪唑合成。通过三氯乙酰异氰酸酯和1,2苯二胺衍生物的反应合成2-酰基氨基苯并咪唑的研究（Shajari et al., 2018）。
- 硫代氨基甲酸酯化合物：通过2-萘硫醇或苯硫酚衍生物与三氯乙酰异氰酸酯的反应合成S-芳基（三氯乙酰基）硫代氨基甲酸酯的研究（Shajari et al., 2021）。
- 手性杯[4]芳烃：通过三氯乙酰异氰酸酯和 1,3-二羟基杯芳烃的反应进行手性杯[4]芳烃的非对映选择性合成（Boyko et al., 2016）。
Other Notes
衍生化试剂，用于通过 NMR 测定羟基化合物的结构；用于负离子化学电离质谱
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Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1
存储类别
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
150.8 °F - closed cup
flash_point_c
66 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
H. Fujiwara et al.
Pract. Spectrosc., 3, 329-329 (1980)
Determination of chain branching in epoxy resins by nuclear magnetic resonance spectrometry.
H D Mak et al.
Analytical chemistry, 44(4), 837-839 (1972-04-01)
In situ reactions with trichloroacetyl isocyanate and their application to structural assignment of hydroxy compounds by 1 H NMR spectroscopy. A general comment
Samek et al.
Collection of Czechoslovak Chemical Communications, 44, 558-588 (1979)
全球贸易项目编号
| 货号 | GTIN |
|---|---|
| 91095-25ML | 04061836828134 |
| 91095-5ML | 04061836828141 |