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Merck
CN

E50000

Sigma-Aldrich

三氟乙酸乙酯

99%

别名:

三氟醋酸乙酯

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About This Item

线性分子式:
CF3COOC2H5
CAS号:
分子量:
142.08
Beilstein:
1761411
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

99%

表单

liquid

折射率

n20/D 1.307 (lit.)

沸点

60-62 °C (lit.)

密度

1.194 g/mL at 25 °C (lit.)

SMILES字符串

CCOC(=O)C(F)(F)F

InChI

1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChI key

STSCVKRWJPWALQ-UHFFFAOYSA-N

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应用

三氟乙酸乙酯可用于以下情形:
  • 从芳香ynone合成环戊烯酮或呋喃,包含三氟甲基。
  • 苯胺类的选择性三氟乙酰化,通过二甲氨基吡啶催化。
  • 在三氟乙酰基三甲基硅烷(CF3COSiMe3)的两步电合成中作为原始材料。
  • 通过三氟乙酸乙酯/酮的烷基芳基酮置换制备三氟甲基酮。
  • 从置换氟代苯合成o-氟化三氟苯乙酮。

警示用语:

Danger

危险分类

Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

靶器官

Respiratory system

储存分类代码

3 - Flammable liquids

WGK

WGK 1

闪点(°F)

30.2 °F - closed cup

闪点(°C)

-1 °C - closed cup

个人防护装备

Eyeshields, Faceshields, Gloves

法规信息

危险化学品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Synthesis of 4-(Trifluoromethyl) cyclopentenones and 2-(Trifluoromethyl) furans by Reductive Trifluoroacetylation of Ynones
Zhang T and Maekawa H
Organic Letters, 19(24), 6602-6605 (2017)
Qi Zhang et al.
Journal of biophotonics, 11(6), e201700339-e201700339 (2018-01-18)
Targeting cyclooxygenase-2 (COX-2) for molecular imaging is an attractive approach applicable for its overexpression in inflammation and many malignancies. Herein, for monitoring COX-2, we synthesize a specific COX-2 probe celecoxib-MPA probe (CMP), based on celecoxib and a water-soluble near-infrared dye
Heike Gerhardt et al.
Journal of chromatography. A, 1428, 280-291 (2015-06-20)
A panel of methods of general suitability for complete structural elucidation of the stereochemistry of cyclopeptides, depsipeptides and lipopeptides is presented and described in detail. The suitability of the proposed methods was exemplified on the lipopeptide poaeamide from Pseudomonas poae.
Highly selective trifluoroacetic ester/ketone metathesis: an efficient approach to trifluoromethyl ketones and esters
Zhou Y, et al.
Tetrahedron, 70(31), 4668-4674 (2014)
Non-defluorinative electrochemical silylation of ethyl trifluoroacetate: a practical synthesis of trifluoroacetyltrimethylsilane via its ethyltrimethylsilyl ketal
Bordeau M, et al.
Tetrahedron Letters, 44(19), 3741-3744 (2003)

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