4'-ブロモプロピオフェノン

p-Bromopropiophenone

HCID 66312

ノート反応

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基本情報

CAS: 10342-83-3
標準SMILES: CCC(=O)c1ccc(Br)cc1
InChIKey: UOMOSYFPKGQIKI-UHFFFAOYSA-N
分子式: C9H9BrO
平均分子量: 213.07 g/mol
単同位体質量: 211.98367701

名称と識別子

優先名称: p-Bromopropiophenone
IUPAC: 1-(4-bromophenyl)propan-1-one
現地名: 4'-ブロモプロピオフェノン
英語名: 4'-Bromopropiophenone
分子式: C9H9BrO
分子量: 213.07

名称と別名

4'-Bromopropiophenone10342-83-3p-Bromopropiophenone1-Propanone, 1-(4-bromophenyl)-Propiophenone, 4'-bromo-EINECS 233-745-7DTXSID10145830NSC 83574RefChem:858014DTXCID4068321Propiophenone, 4'-bromo-(8CI)1-Propanone, 1-(4-bromophenyl)-(9CI)

名称をさらに表示

4'-ブロモプロピオフェノン1-(4-ブロモフェニル)-1-プロパノンp-ブロモプロピオフェノン4-ブロモプロピオフェノン4'-ブロモプロピオフェノン臭化物4′-ブロモプロピオフェノン4-ブロモフェニルエチルケトン1-(4-ブロモフェニル)プロパン-1-オン1-プロパノイル-4-ブロモベンゼンAURORA 22532p-Brompropiophenon4'-broMo benzeneacetoneThe broMobenzene acetone4'-Bromopropiophenone 98%

233-745-71-(4-bromophenyl)propan-1-one4-Bromopropiophenone1-(4-Bromophenyl)-1-propanone4-BROMOPHENYL ETHYL KETONEMFCD000001064'-bromopropiophenon1-bromo-4-propionylbenzene

データベース識別子

CAS: 10342-83-3
PubChem CID: 66312
DTXSID: DTXSID10145830
UNII: Q8EVM78HH6
EC Number: 233-745-7
Nikkaji: J45.208D

物性

構造計算による物性

XLogP: 3.1
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: 136

物理化学的性質

融点: 45 · 45-47 °C(lit.)
沸点: 138 · 138-140 °C14 mm Hg(lit.)
比重(密度): 1.3841 · 1.3841 (rough estimate)
屈折率: 1.572 · 1.5720 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Acetonitrile (Slightly), Chloroform (Slightly), Methanol
外見: powder to crystal
色: White to Almost white
BRN: 1210311 · 1210311
InChI: InChI=1S/C9H9BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey: UOMOSYFPKGQIKI-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Br)C=C1)(=O)CC
CAS データベース: 10342 · 10342-83-3(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Propanone, 1-(4-bromophenyl)-(10342-83-3)

化学的性質

化学的特性white to light yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)

安全データ

wgk: 3
hs_code: 29147000
risk_code: 22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-37/39
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

説明4'-Bromopropiophenone is used as a raw material for organic synthesis or as a pharmaceutical intermediate reagent. The 4′-Bromopropiophenone can be employed as a starting material for synthesising novel 5-substituted pyrazole derivatives via Suzuki-type coupling with alkenes. These derivatives function as potent CB1 antagonists exhibiting binding affinities comparable to SR 141716A, presenting potential as therapeutic agents for obesity.