3'-(トリフルオロメトキシ)アセトフェノン

1-(3-(Trifluoromethoxy)phenyl)ethanone

HCID 737161

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 170141-63-6
標準SMILES: CC(=O)c1cccc(OC(F)(F)F)c1
InChIKey: UYHTUQHYGKAYJM-UHFFFAOYSA-N
分子式: C9H7F3O2
平均分子量: 204.15 g/mol
単同位体質量: 204.03981412

名称と識別子

優先名称: 1-(3-(Trifluoromethoxy)phenyl)ethanone
IUPAC: 1-[3-(trifluoromethoxy)phenyl]ethanone
現地名: 3'-(トリフルオロメトキシ)アセトフェノン
英語名: 3'-(Trifluoromethoxy)acetophenone
分子式: C9H7F3O2
分子量: 204.15

名称と別名

1-(3-(trifluoromethoxy)phenyl)ethanone1-[3-(trifluoromethoxy)phenyl]ethanoneUYHTUQHYGKAYJM-UHFFFAOYSA-RefChem:423205642-823-3InChI=1/C9H7F3O2/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-5H,1H33'-(Trifluoromethoxy)acetophenone170141-63-63-(Trifluoromethoxy)acetophenone1-[3-(trifluoromethoxy)phenyl]ethan-1-oneMFCD000424033-trifluoromethoxyacetophenone

名称をさらに表示

3'-(トリフルオロメトキシ)アセトフェノン3′‐(トリフルオロメトキシ)アセトフェノン3′-(トリフルオロメトキシ)アセトフェノン1-(3-TRIFLUOROMETHOXY)ETHANONE3'-(Trifluoromethoxy)acetophenone98%3'-(Trifluoromethoxy)acetophenone 98%3'-(Trifluoromethoxy)acetophenone,97%Ethanone, 1-[3-(trifluoromethoxy)phenyl]-3-ACETYL-ALPHA,ALPHA,ALPHA-TRIFLUOROANISOLE

CK2582AKOS005145734AC-36283 inverted exclamation marka-(Trifluoromethoxy)acetophenone3'-(Trifluoromethoxy)acetophenone, 98%3/'-(TRIFLUOROMETHOXY)ACETOPHENONE1-acetyl-3-(trifluoromethoxy)benzene1-(3-(trifluoromethoxy)phenyl)ethan-1-one

データベース識別子

CAS: 170141-63-6
PubChem CID: 737161
DTXSID: DTXSID90353178
EC Number: 642-823-3
Nikkaji: J1.388.404H

物性

構造計算による物性

XLogP: 3.1
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 213

物理化学的性質

沸点: 49 · 49-51 °C (13 mmHg)
比重(密度): 1.285 g/mL · 1.285 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.452(lit.)
闪点: 182 °F · 182 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Light yellow
比重: 1.285 · 1.285
BRN: 6196333 · 6196333
InChI: 1S/C9H7F3O2/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-5H,1H3
InChIKey: UYHTUQHYGKAYJM-UHFFFAOYSA-N
SMILES: CC(=O)c1cccc(OC(F)(F)F)c1
CAS データベース: 170141 · 170141-63-6(CAS DataBase Reference)

化学的性質

化学的特性clear yellow liqui

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.