3',4',5'-トリフルオロアセトフェノン

3',4',5'-Trifluoroacetophenone

HCID 2776907

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 220141-73-1
標準SMILES: CC(=O)c1cc(F)c(F)c(F)c1
InChIKey: KXVIYAHOUAMVJX-UHFFFAOYSA-N
分子式: C8H5F3O
平均分子量: 174.12 g/mol
単同位体質量: 174.02924944

名称と識別子

優先名称: 3',4',5'-Trifluoroacetophenone
IUPAC: 1-(3,4,5-trifluorophenyl)ethanone
現地名: 3',4',5'-トリフルオロアセトフェノン
英語名: 3',4',5'-Trifluoroacetophenone
分子式: C8H5F3O
分子量: 174.12

名称と別名

3',4',5'-Trifluoroacetophenone220141-73-1DTXSID40380292RefChem:269333DTXCID70331318671-898-51-(3,4,5-trifluorophenyl)ethanone3,4,5-trifluoroacetophenone1-(3,4,5-trifluorophenyl)ethan-1-oneMFCD00083533Ethanone, 1-(3,4,5-trifluorophenyl)-1-acetyl-3,4,5-trifluorobenzene

名称をさらに表示

3',4',5'-トリフルオロアセトフェノン3,4,5-トリフルオロアセトフェノン3',4',5'-トリフルオロアセトフェノン, 97%3′,4′,5′-トリフルオロアセトフェノン3',4',5'-TRIFLUOROACETOPHE3',4',5'-Trifluoroacetophenone97%3',4',5'-Trifluoroacetophenone 97%3′,4′,5′-Trifluoroacetophenone, CAS 220141-73-1

CL86481-(3,4,5-TRIFLUORO-PHENYL)-ETHANONE1,4-Dimethylpentylamine hydrochloride1-(3,4,5-trifluorophe3,4,5-triflouroacetophenoneSCHEMBL8236773,4,5-trifluoro acetophenoneSCHEMBL2095495

データベース識別子

CAS: 220141-73-1
PubChem CID: 2776907
DTXSID: DTXSID40380292
EC Number: 671-898-5
Nikkaji: J2.894.824G

物性

構造計算による物性

XLogP: 1.9
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: 1
重原子数: 12
形式電荷: 0
複雑度: 171

物理化学的性質

沸点: 209 ℃ · 209℃
比重(密度): 1.303 · 1.303
屈折率: 1.473 · 1.473
闪点: 100 °C · >100°C
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Light yellow
CAS データベース: 220141 · 220141-73-1(CAS DataBase Reference)

化学的性質

化学的特性colorless to clear liquid

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 7 reports by companies from 4 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

ridadr: 1993
hs_code: 2914790090
risk_code: 36/37/38
hazard_code: Xi,F
hazard_note: Irritant/Flammable
safety_code: 26-36
hazard_class: IRRITANT

化学と産業

応用分野

使用3',4',5'-Trifluoroacetophenone is an organic intermediate that can be used to prepare the key mother nucleus (S)-N-[4-(1-aminoethyl)-2,6-difluorophenyl]methanesulfonamide of vanilloid compounds.