2-(トリフルオロメトキシ)ベンジルブロミド

2-(Trifluoromethoxy)benzyl bromide

HCID 2777254

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 198649-68-2
標準SMILES: FC(F)(F)Oc1ccccc1CBr
InChIKey: TUNSVUOTVLWNQT-UHFFFAOYSA-N
分子式: C8H6BrF3O
平均分子量: 255.03 g/mol
単同位体質量: 253.95541

名称と識別子

優先名称: 2-(Trifluoromethoxy)benzyl bromide
IUPAC: 1-(bromomethyl)-2-(trifluoromethoxy)benzene
現地名: 2-(トリフルオロメトキシ)ベンジルブロミド
英語名: 2-(Trifluoromethoxy)benzyl bromide
分子式: C8H6BrF3O
分子量: 255.03

名称と別名

2-(Trifluoromethoxy)benzyl bromide198649-68-2DTXSID80380438RefChem:462475DTXCID20331464642-461-61-(bromomethyl)-2-(trifluoromethoxy)benzeneBenzene, 1-(bromomethyl)-2-(trifluoromethoxy)-MFCD00236321[2-(bromomethyl)phenoxy]trifluoromethanealpha-Bromo-2-(trifluoromethoxy)tolueneSCHEMBL121522

名称をさらに表示

2-(トリフルオロメトキシ)ベンジルブロミドα-ブロモ-2-(トリフルオロメトキシ)トルエン2-トリフルオロメトキシベンジル=ブロミド1-(ブロモメチル)-2-(トリフルオロメトキシ)ベンゼンCAS:198649-68-22-(Trifluoromethoxy)benzylà-bromo-2-(trifluoromethoxy)tolueneα-Bromo-2-(trifluoromethoxy)toluene2-(Trifluoromethoxy)benzyl bromide 97%1-(Bromomethyl)-2-(trifluoromethoxy)benzene, 2-(Bromomethyl)phenyl trifluoromethyl ether

2-trifluoromethoxybenzyl bromideSCHEMBL29427096TUNSVUOTVLWNQT-UHFFFAOYSA-2-(trifluromethoxy)benzyl bromideSBB101526AKOS007930186AC-7451FT37272

データベース識別子

CAS: 198649-68-2
PubChem CID: 2777254
DTXSID: DTXSID80380438
EC Number: 642-461-6
Nikkaji: J2.646.674A

物性

構造計算による物性

XLogP: 3.8
極性表面積: 9.2 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: 13
形式電荷: 0
複雑度: 160

物理化学的性質

沸点: 191.7 · 191.7±35.0 °C(Predicted)
比重(密度): 1 · 1,583 g/cm3
屈折率: 1.4812 · 1.4812
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: clear liquid
色: Light orange to Yellow to Green
CAS データベース: 198649 · 198649-68-2(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.