CAS 54109-16-9 2-Bromo-1-[2-(trifluoromethyl)phenyl]ethan-1-one (HCID 2778430)

基本情報

CAS: 54109-16-9
標準SMILES: O=C(CBr)c1ccccc1C(F)(F)F
InChIKey: KWZCBMKXNYOQAK-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-[2-(trifluoromethyl)phenyl]ethan-1-one
IUPAC: 2-bromo-1-[2-(trifluoromethyl)phenyl]ethanone
現地名: 2-ブロモ-2'-(トリフルオロメチル)アセトフェノン
英語名: 2-(TRIFLUOROMETHYL)PHENACYL BROMIDE
分子式: C9H6BrF3O
分子量: 267.04

名称と別名

2-bromo-1-[2-(trifluoromethyl)phenyl]ethan-1-one2-bromo-1-(2-(trifluoromethyl)phenyl)ethan-1-oneRefChem:465869638-938-354109-16-92-(Trifluoromethyl)phenacyl bromide2-bromo-1-[2-(trifluoromethyl)phenyl]-1-ethanone2-Bromo-2'-(trifluoromethyl)acetophenone2-bromo-1-[2-(trifluoromethyl)phenyl]ethanoneMFCD030943042-bromo-1-(2-trifluoromethyl-phenyl)-ethanone2-BROMO-1-(2-(TRIFLUOROMETHYL)PHENYL)ETHANONE

名称をさらに表示

2-ブロモ-2'-(トリフルオロメチル)アセトフェノン2-(トリフルオロメチル)フェナシルブロミド2-(trifluoromethtl)phenacyl bromide2'-(TRIFLUOROMETHYL)PHENACYL BROMIDE2-Bromo-2'-(trifluoromethyl)acetophenone >2-Bromo-2'-(trifluoromethyl)acetophenone,97%2-Bromo-1-[2-(trifluoromethyl)phenyl]-1-ethanone, 95+%

Ethanone, 2-bromo-1-[2-(trifluoromethyl)phenyl]-SCHEMBL1689792-trifluoromethyphenacyl bromide2-trifluoromethyl phenacylbromide2-trifluoromethylphenacyl bromideSCHEMBL30013031DTXSID50380925SBB018326

データベース識別子

CAS: 54109-16-9
PubChem CID: 2778430
DTXSID: DTXSID50380925
EC Number: 638-938-3
Nikkaji: J3.438.692G

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: 28 · 28-30
沸点: 52 · 52/0.03mm
比重(密度): 1.592 · 1.592±0.06 g/cm3 (20 ºC 760 Torr)
闪点: 109.7 · 109.7±27.3℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: powder to lump to clear liquid
色: White or Colorless to Light yellow to Light orange
水溶解度: 水にわずかに溶ける。
CAS データベース: 54109 · 54109-16-9

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, 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.

危険有害性情報

Hazard Classes and CategoriesMet. Corr. 1 (12.5%)

安全データ

ridadr: 1759
hs_code: 2914790090
risk_code: 34
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
packing_group: III

化学と産業

応用分野 · 1 件

使用The sulfonyl urea thus obtained was used directly in the following condensation with 4-(trifluoromethyl)phenacyl bromide. Upon heating, benzenesulfinic acid ammonium salt might react with 2-(trifluoromethyl)phenacyl bromide to give β-keto sulfone. In Rap-Stoermer condensation reation.