CAS 321-75-5 2-Bromo-2-fluoro-1-phenylethan-1-one (HCID 12545127)

基本情報

CAS: 321-75-5
標準SMILES: O=C(c1ccccc1)C(F)Br
InChIKey: CBLLCYODFDSRQA-UHFFFAOYSA-N
分子式: C8H6BrFO
平均分子量: 217.03 g/mol
単同位体質量: 215.95861

名称と識別子

優先名称: 2-Bromo-2-fluoro-1-phenylethan-1-one
IUPAC: 2-bromo-2-fluoro-1-phenylethanone
英語名: Ethanone, 2-bromo-2-fluoro-1-phenyl- (9CI)
分子式: C8H6BrFO
分子量: 217.04

名称と別名

321-75-52-Bromo-2-fluoro-1-phenylethan-1-oneDTXSID90502023RefChem:256951DTXCID50452833899-752-82-bromo-2-fluoro-1-phenylethanone2-bromo-2-fluoro-1-phenyl-ethanoneEthanone, 2-bromo-2-fluoro-1-phenyl- (9CI)MFCD13173360fluorophenacyl bromideSCHEMBL1110769

名称をさらに表示

α-bromo-α-fluoroacetophenone

alpha-bromo-2-fluoroacetophenoneCBLLCYODFDSRQA-UHFFFAOYSA-NEthanone, 2-bromo-2-fluoro-1-phenyl-DB-287358EN300-6474055

データベース識別子

CAS: 321-75-5
PubChem CID: 12545127
DTXSID: DTXSID90502023
EC Number: 899-752-8
Nikkaji: J1.975.313A

物性

構造計算による物性

XLogP: 2.9
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: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 143

物理化学的性質

融点: 54 · 54-54.5 °C(Solv: ligroine (8032-32-4))
沸点: 232.3 · 232.3±20.0 °C(Predicted)
比重(密度): 1.55 · 1.550±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.