CAS 14719-21-2 2,2,2-trifluoro-N-(prop-2-yn-1-yl)acetamide (HCID 11094805)

基本情報

CAS: 14719-21-2
標準SMILES: C#CCNC(=O)C(F)(F)F
InChIKey: GAUSMJHDHCSZOX-UHFFFAOYSA-N
分子式: C5H4F3NO
平均分子量: 151.09 g/mol
単同位体質量: 151.02449841

名称と識別子

優先名称: 2,2,2-trifluoro-N-(prop-2-yn-1-yl)acetamide
IUPAC: 2,2,2-trifluoro-N-prop-2-ynylacetamide
現地名: N-プロパルギルトリフルオロアセトアミド
英語名: AcetaMide, 2,2,2-trifluoro-N-2-propynyl-
分子式: C5H4F3NO
分子量: 151.09

名称と別名

2,2,2-Trifluoro-N-(prop-2-yn-1-yl)acetamideRefChem:440505835-806-914719-21-2N-TrifluoroacetylpropargylamineN-PROPARGYLTRIFLUOROACETAMIDE2,2,2-trifluoro-n-prop-2-ynylacetamideMFCD146383702,2,2-Trifluoro-N-2-propyn-1-ylacetamide2,2,2-Trifluoro-N-2-propynylacetamide2,2,2-trifluoro-N-prop-2-ynyl-acetamideAcetamide, 2,2,2-trifluoro-N-2-propynyl-

名称をさらに表示

N-プロパルギルトリフルオロアセトアミド2,2,2-Trifluoro-N-(2-propynyl)acetamide2,2,2-Trifluoro-N-2-propyn-1-yl-acetamideAcetamide, 2,2,2-trifluoro-N-2-propyn-1-yl-2,2,2-trifluoro-N - (propyl-2-yne-1-yl) acetamide

propargyltrifluoroacetamide3-trifluoroacetamidopropyneSCHEMBL686092,2,2-trifluoro-N-(prop-2-ynyl)acetamidePropargylamine, N-trifluoroacetyl-AKOS010597615DS-9045P2603

データベース識別子

CAS: 14719-21-2
PubChem CID: 11094805
DTXSID: DTXSID60454924
EC Number: 835-806-9
Nikkaji: J1.113.974D

物性

構造計算による物性

XLogP: 0.8
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 175

物理化学的性質

沸点: 172.6 · 172.6±40.0 °C(Predicted)
比重(密度): 1.289 · 1.289±0.06 g/cm3(Predicted)
屈折率: 1.39 · 1.39
闪点: 58 ° · 58°
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム、メタノール（微量）
外見: 油
酸解離定数(Pka): 9.74 · 9.74±0.46(Predicted)
色: 無色～淡黄色

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

ridadr: 1993
hs_code: 2924297099
消防法: 危-4-2-III
hazard_class: 3
packing_group: Ⅱ

化学と産業

応用分野 · 1 件

使用N-Trifluoroacetylpropargylamine is an intermediate in the synthesis of the constituents of Texas Red-5-dUTP (T320100), a fluorescence-labelled nucleotide analog. Texas Red-5-dUTP is used diagnostically for detection of rearranged SS18 in formalin-fixed, paraffin-embedded synovial sarcoma.