1-フェニル-1-ブロモ-2-プロパノン

2-Propanone, 1-bromo-1-phenyl-

HCID 90870

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 23022-83-5
標準SMILES: CC(=O)C(Br)c1ccccc1
InChIKey: LHMXBAUNIRFZCP-UHFFFAOYSA-N
分子式: C9H9BrO
平均分子量: 213.07 g/mol
単同位体質量: 211.98368

名称と識別子

優先名称: 2-Propanone, 1-bromo-1-phenyl-
IUPAC: 1-bromo-1-phenylpropan-2-one
現地名: 1-フェニル-1-ブロモ-2-プロパノン
英語名: 1-Bromo-1-phenyl-2-propanone
分子式: C9H9BrO
分子量: 213.07

名称と別名

23022-83-51-Bromo-1-phenyl-2-propanone2-Propanone, 1-bromo-1-phenyl-DTXSID10885224RefChem:89180DTXCID8010246171-bromo-1-phenylpropan-2-one1-bromo-1-phenylacetone1-bromo-1-phenyl-propan-2-oneMFCD06658524160189-81-1bromophenylacetone

名称をさらに表示

1-ブロモ-1-フェニルアセトン1-ブロモ-1-フェニル-2-プロパノン1-フェニル-1-ブロモ-2-プロパノン1-ブロモ-1-フェニルプロパン-2-オンbromoethylphenylketoneBromophenylethylketone1-bromo-1phenyl-2-propanone1-bromo-1-phenyl-2-propanon

Bromo-3-phenylacetone1-bromo-1-phenyl-acetoneSCHEMBL2573939AKOS015841086SB35639AS-30417DB-005696EN300-251332

データベース識別子

CAS: 23022-83-5
PubChem CID: 90870
DTXSID: DTXSID10885224
EC Number: 844-890-6
Nikkaji: J403.375B

物性

構造計算による物性

XLogP: 2.4
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: 2
重原子数: 11
形式電荷: 0
複雑度: 138

物理化学的性質

沸点: 122 · 122-123 °C(Press: 5 Torr)
比重(密度): 1.4514 g/cm3 · 1.4514 g/cm3(Temp: 15.1 °C)
EPAの化学物質情報: 2 · 2-Propanone, 1-bromo-1-phenyl- (23022-83-5)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, 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, P370+P378, P403, 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.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 4 (50%)；Acute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)