2'-ブロモ-4'-クロロアセトフェノン

1-(2-Bromo-4-chlorophenyl)ethanone

HCID 4712644

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 825-40-1
標準SMILES: CC(=O)c1ccc(Cl)cc1Br
InChIKey: URBATMJMOGHOCE-UHFFFAOYSA-N
分子式: C8H6BrClO
平均分子量: 233.49 g/mol
単同位体質量: 231.92906

名称と識別子

優先名称: 1-(2-Bromo-4-chlorophenyl)ethanone
IUPAC: 1-(2-bromo-4-chlorophenyl)ethanone
現地名: 2'-ブロモ-4'-クロロアセトフェノン
英語名: 2-Bromo-4'-chloroacetophenone
分子式: C8H6BrClO
分子量: 233.49

名称と別名

1-(2-bromo-4-chlorophenyl)ethanone825-40-1DTXSID80405736RefChem:223210DTXCID903565882-Bromo-4-chloroacetophenone4-acetyl-3-bromo-1-chlorobenzene1-(2-bromo-4-chlorophenyl)ethan-1-oneMFCD026830632'-BROMO-4'-CHLOROACETOPHENONEEthanone, 1-(2-bromo-4-chlorophenyl)-SCHEMBL616449

名称をさらに表示

2'-ブロモ-4'-クロロアセトフェノン2-ブロモ-4-クロロアセトフェノン2-Bromo-4'-chloroacetophenone2’-Bromo-4’-chloroacetophenone1-(2-BROMO-4-CHLORO-PHENYL)-ETHANONE

Ethanone,1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-chloro-phenyl)ethanoneSCHEMBL7576795SCHEMBL29526339URBATMJMOGHOCE-UHFFFAOYSA-NAKOS015891315CS-W004840AC-28641

データベース識別子

CAS: 825-40-1
PubChem CID: 4712644
DTXSID: DTXSID80405736
EC Number: 672-231-0

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: 1
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 44 °C · 44 °C
沸点: 145 °C · 145 °C(Press: 12 Torr)
比重(密度): 1.566 · 1.566±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
InChI: InChI=1S/C8H6BrClO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,1H3
InChIKey: URBATMJMOGHOCE-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(Cl)C=C1Br)C
CAS データベース: 825 · 825-40-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.；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.