4'-(トリフルオロメチル)プロピオフェノン

p-Trifluoromethylpropiophenone

HCID 136554CAS 711-33-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CCC(=O)c1ccc(C(F)(F)F)cc1
InChIKey: QFKOWENRSZZLPK-UHFFFAOYSA-N
分子式: C10H9F3O
平均分子量: 202.17 g/mol
単同位体質量: 202.06054957

名称と識別子

優先名称: p-Trifluoromethylpropiophenone
IUPAC: 1-[4-(trifluoromethyl)phenyl]propan-1-one
現地名: 4'-(トリフルオロメチル)プロピオフェノン
英語名: 4'-(Trifluoromethyl)propiophenone
分子式: C10H9F3O
分子量: 202.17

名称と別名

711-33-11-(4-(Trifluoromethyl)phenyl)propan-1-one1-[4-(trifluoromethyl)phenyl]propan-1-onep-TrifluoromethylpropiophenoneDTXSID40221318RefChem:858259DTXCID40143809626-720-04'-(Trifluoromethyl)propiophenone4-(Trifluoromethyl)propiophenone4-TrifluoromethylpropiophenoneMFCD00039231

名称をさらに表示

4'-(トリフルオロメチル)プロピオフェノンP-(トリフルオロメチル)プロピオフェノン4′-(トリフルオロメチル)プロピオフェノン4'-(Trifluoromethyl)propiophenone 97%4'-(Trifluoromethyl)propiophenone,97%Ethyl 4-(trifluoromethyl)phenyl ketonep-Trifluoromethylpropiophenone, min. 97%

1-[4-(trifluoromethyl)phenyl]-1-propanone1-Propanone, 1-[4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethy1-(4-trifluoromethyl-phenyl)-propan-1-oneghl.PD_Mitscher_leg0.340SCHEMBL478183SCHEMBL2095082SCHEMBL7228800

データベース識別子

CAS: 711-33-1
PubChem CID: 136554
DTXSID: DTXSID40221318
EC Number: 626-720-0
Nikkaji: J1.599.891A

物性

構造計算による物性

XLogP: 3.1
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 202

物理化学的性質

融点: 36 · 36-39 °C(lit.)
沸点: 216 °C · 216 °C(lit.)
比重(密度): 1 · 1,973 g/cm3
闪点: 210 °F · 210 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: fused solid
色: White/colourless
BRN: 1874014 · 1874014
InChI: 1S/C10H9F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3
InChIKey: QFKOWENRSZZLPK-UHFFFAOYSA-N
SMILES: CCC(=O)c1ccc(cc1)C(F)(F)F
CAS データベース: 711 · 711-33-1(CAS DataBase Reference)

化学的性質

化学的特性solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 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 CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用4-(Trifluoromethyl)propiophenone is used as a reagent in the preparation of ketones and alcohols in organic synthesis. It is also used as a starting material for the synthesis of various compounds such as 4-(trifluoromethyl)phenylacetic acid, which is used as a building block in the synthesis of pharmaceuticals.

上流・下流製品情報

上流原料

4‐(トリフルオロメチル)安息香酸フェニル Benzene, 1-(1-propynyl)-4-(trifluoromethyl)-Benzene, 1-(1E)-1-propen-1-yl-4-(trifluoromethyl)-Lithium, [4-(trifluoromethyl)phenyl]-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-ol 4-(トリフルオロメチル)ベンゾイルクロリド 1-[4-(Trifluoromethyl)phenyl]propan-1-ol 4'-(トリフルオロメチル)アセトフェノン 1-(4-(trifluoroMethyl)phenyl)propan-2-one N-メトキシ-N-メチルプロピオンアミド 2-ブロモベンゾトリフルオリドブロモエタン

下流製品

2-Methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one

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