CAS 2003-10-3 2-Bromo-1-[3-(trifluoromethyl)phenyl]ethan-1-one (HCID 2778386)

基本情報

CAS: 2003-10-3
標準SMILES: O=C(CBr)c1cccc(C(F)(F)F)c1
InChIKey: TZIYNLSEBAYCBZ-UHFFFAOYSA-N
分子式: C9H6BrF3O
平均分子量: 267.04 g/mol
単同位体質量: 265.95541157

名称と識別子

優先名称: 2-Bromo-1-[3-(trifluoromethyl)phenyl]ethan-1-one
IUPAC: 2-bromo-1-[3-(trifluoromethyl)phenyl]ethanone
現地名: 3-(トリフルオロメチル)フェナシルブロミド
英語名: 3-(Trifluoromethyl)phenacyl bromide
分子式: C9H6BrF3O
分子量: 267.04

名称と別名

2-bromo-1-(3-(trifluoromethyl)phenyl)ethanone2-bromo-1-[3-(trifluoromethyl)phenyl]ethanone2-bromo-1-[3-(trifluoromethyl)phenyl]ethan-1-oneDTXSID203808962-bromo-1-(3-(trifluoromethyl)phenyl)ethan-1-oneRefChem:466046DTXCID40331921606-425-32003-10-33-(Trifluoromethyl)phenacyl bromide2-Bromo-3'-(trifluoromethyl)acetophenone2-bromo-3'-trifluoromethylacetophenone

名称をさらに表示

3-(トリフルオロメチル)フェナシルブロミド2-ブロモ-1-[3-(トリフルオロメチル)フェニル]エタノン2-ブロモ-3'-(トリフルオロメチル)アセトフェノンBUTTPARK 35\01-543-(Trifluoromethyl)phenacyl bromide (267)2-Bromo-3'-(trifluoromethyl)acetophenone,98%2-BROMO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1-ETHANONE2-Bromo-1-(3-(trifluoromethyl)phenyl)ethanone ,97%

Ethanone, 2-bromo-1-[3-(trifluoromethyl)phenyl]-MFCD030942833'-(Trifluoromethyl)phenacyl bromide2-Bromo-1-(3-trifluoromethyl-phenyl)-ethanoneSCHEMBL40175m-trifluoromethylphenacyl bromide3-trifluoromethylphenacyl bromideSCHEMBL29742875

データベース識別子

CAS: 2003-10-3
PubChem CID: 2778386
DTXSID: DTXSID20380896
EC Number: 606-425-3
Nikkaji: J1.077.100E

物性

構造計算による物性

XLogP: 3.3
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: 215

物理化学的性質

融点: 22 °C · 22°C
沸点: 64 · 64-72°C
比重(密度): 1.592 · 1.592±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: liquid
色: Colourless
CAS データベース: 2003 · 2003-10-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 12.5% (1 of 8) of reports.

Danger

H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.