4'-ブロモ-2',5'-ジフルオロアセトフェノン

1-(4-Bromo-2,5-difluorophenyl)ethan-1-one

HCID 9991653

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 123942-11-0
標準SMILES: CC(=O)c1cc(F)c(Br)cc1F
InChIKey: JPTNTBSBJPCXGI-UHFFFAOYSA-N
分子式: C8H5BrF2O
平均分子量: 235.02 g/mol

名称と識別子

優先名称: 1-(4-Bromo-2,5-difluorophenyl)ethan-1-one
IUPAC: 1-(4-bromo-2,5-difluorophenyl)ethanone
現地名: 4'-ブロモ-2',5'-ジフルオロアセトフェノン
英語名: 4'-BroMo-2',5'-difluoroacetophenone
分子式: C8H5BrF2O
分子量: 235.03

名称と別名

123942-11-01-(4-BROMO-2,5-DIFLUOROPHENYL)ETHAN-1-ONERefChem:424849816-706-41-(4-BROMO-2,5-DIFLUOROPHENYL)ETHANONE4'-bromo-2',5'-difluoroacetophenone4-bromo-2,5-difluoroacetophenoneMFCD155268961-(4-bromo-2,5-difluoro-phenyl)ethanoneSCHEMBL49494994'-bromo-2 ',5'-difluoroacetophenoneAC-9435

名称をさらに表示

4'-ブロモ-2',5'-ジフルオロアセトフェノン4'-ブロモ-2',5'-ジフルオロアセトフェノン, 96%1-(4-bromo-2,5-difluorophenyl)ethylone4'-BroMo-2',5'-difluoroacetophenone, 96%Ethanone, 1-(4-bromo-2,5-difluorophenyl)-4-Chloro-6-(trifluoromethyl)pyridin-5-amine1-(4-Bromo-2,5-difluorophenyl)ethan-1-one - [B93188]

PS-10134SY215857EN300-2998604 inverted exclamation mark -Bromo-2 inverted exclamation mark ,5 inverted exclamation mark -difluoroacetophenoneSCHEMBL30204393JPTNTBSBJPCXGI-UHFFFAOYSA-NYEA94211AKOS013532620

データベース識別子

CAS: 123942-11-0
PubChem CID: 9991653
EC Number: 816-706-4
Nikkaji: J686.926B

物性

構造計算による物性

XLogP: 2.5
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: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 186

物理化学的性質

沸点: 258.9 · 258.9±40.0 °C(Predicted)
比重(密度): 1.614 · 1.614±0.06 g/cm3(Predicted)
貯蔵温度: Store at room temperature
外見: solid
色: Faint Orange ( powder)
InChI: InChI=1S/C8H5BrF2O/c1-4(12)5-2-8(11)6(9)3-7(5)10/h2-3H,1H3
InChIKey: JPTNTBSBJPCXGI-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC(F)=C(Br)C=C1F)C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.