CAS 443914-96-3 2-Bromo-1-(3-(difluoromethoxy)phenyl)ethan-1-one (HCID 2778266)

基本情報

CAS: 443914-96-3
標準SMILES: O=C(CBr)c1cccc(OC(F)F)c1
InChIKey: WPBYWRSJRLRFJH-UHFFFAOYSA-N
分子式: C9H7BrF2O2
平均分子量: 265.05 g/mol
単同位体質量: 263.959748

名称と識別子

優先名称: 2-Bromo-1-(3-(difluoromethoxy)phenyl)ethan-1-one
IUPAC: 2-bromo-1-[3-(difluoromethoxy)phenyl]ethanone
現地名: 2-ブロモ-1-(3-(ジフルオロメトキシ)フェニル)エタノン
英語名: 2-Bromo-1-(3-(difluoromethoxy)phenyl)ethanone
分子式: C9H7BrF2O2
分子量: 265.05

名称と別名

2-BROMO-1-(3-(DIFLUOROMETHOXY)PHENYL)ETHANONE2-bromo-1-[3-(difluoromethoxy)phenyl]ethanone2-bromo-1-[3-(difluoromethoxy)phenyl]ethan-1-one2-Bromo-1-(3-(difluoromethoxy)phenyl)ethan-1-oneRefChem:465911854-303-5443914-96-33-(Difluoromethoxy)phenacyl bromideMFCD092590032-bromo-1-(3-(difluoromethoxy)phenyl)ethanone (contain 0.5% magnesium oxide)SCHEMBL1542192SCHEMBL29440418

名称をさらに表示

2-ブロモ-1-(3-(ジフルオロメトキシ)フェニル)エタノンEthanone, 2-bromo-1-[3-(difluoromethoxy)phenyl]-

DTXSID901252253SBB102873AKOS009157684SB85561AS-42763CS-02176992-bromo-1-(3-difluoromethoxy-phenyl)ethanoneEN300-82227

データベース識別子

CAS: 443914-96-3
PubChem CID: 2778266
DTXSID: DTXSID901252253
EC Number: 854-303-5

物性

構造計算による物性

XLogP: 3.3
極性表面積: 26.3 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: 4
重原子数: 14
形式電荷: 0
複雑度: 199

物理化学的性質

沸点: 274.4 · 274.4±35.0 °C(Predicted)
比重(密度): 1.564 · 1.564±0.06 g/cm3(Predicted)
外見: crystalline powder
色: Off white to faint creamy lemon crystals

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.