3',5'-ビス(トリフルオロメチル)-2-ブロモアセトフェノン

3,5-Bis(trifluoromethyl)phenacyl bromide

HCID 2736170

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 131805-94-2
標準SMILES: O=C(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: ZEKBFXJTIAEUOF-UHFFFAOYSA-N
分子式: C10H5BrF6O
平均分子量: 335.04 g/mol
単同位体質量: 333.9428

名称と識別子

優先名称: 3,5-Bis(trifluoromethyl)phenacyl bromide
IUPAC: 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethanone
現地名: 3',5'-ビス(トリフルオロメチル)-2-ブロモアセトフェノン
英語名: 3',5'-BIS(TRIFLUOROMETHYL)-2-BROMOACETOPHENONE
分子式: C10H5BrF6O
分子量: 335.04

名称と別名

3,5-bis(trifluoromethyl)phenacyl bromideRefChem:486557638-928-9131805-94-21-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoethanone3',5'-Bis(trifluoromethyl)-2-bromoacetophenone1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethanone1-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Bromoethan-1-OneMFCD00792434a-Bromo-3',5'-bis(trifluoromethyl)acetophenoneEthanone, 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromo-2-bromo-1-[3,5-bis(trifluoromethyl)phenyl]ethanone

名称をさらに表示

3',5'-ビス(トリフルオロメチル)-2-ブロモアセトフェノン3,5-ビス(トリフルオロメチル)フェナシルブロミドBUTTPARK 41\03-56Nicergoline IMp. D (EP)3,5-Bis(trifluoromethyl)phenacylbromide97%3,5-Bis(trifluoromethyl)phenacyl bromide 97%2-bromo-1-3,5-di(trifluoromethyl)phenylethylone

1-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Bromo-Ethanone3,5-bis(trifluoromethyl)phenacylbromide1-(3,5-bis(trifluoromethyl)phenyl)-2-bromoethan-1-one3,5-bistrifluoromethyl-phenacyl bromideTrifluoroBromoacetophenoneSCHEMBL6304141-(3,5-Bis-trifluoromethyl-phenyl)-2-bromo-ethanoneCHEMBL4648550

データベース識別子

CAS: 131805-94-2
PubChem CID: 2736170
DTXSID: DTXSID70371178
ChEMBL: CHEMBL4648550
EC Number: 638-928-9
Nikkaji: J2.387.956E

物性

構造計算による物性

XLogP: 4.2
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: 7
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 288

物理化学的性質

融点: 44 · 44-46
沸点: 211.6 · 211.6±35.0 °C(Predicted)
比重(密度): 1.665 · 1.665±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: solid
色: White
CAS データベース: 131805 · 131805-94-2(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 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.