6-ブロモ-1-インダノン 臭化物

1-Indanone, 6-bromo-

HCID 139778

基本情報

CAS
14548-39-1
標準SMILES
O=C1CCc2ccc(Br)cc21
InChIKey
SEQHEDQNODAFIU-UHFFFAOYSA-N
分子式
C9H7BrO
平均分子量
211.05 g/mol
単同位体質量
209.96802694

名称と識別子

優先名称
1-Indanone, 6-bromo-
IUPAC
6-bromo-2,3-dihydroinden-1-one
現地名
6-ブロモ-1-インダノン 臭化物
英語名
6-Bromoindanone
分子式
C9H7BrO
分子量
211.06

名称と別名

14548-39-16-bromo-2,3-dihydro-1H-inden-1-one1-Indanone, 6-bromo-DTXSID50163053RefChem:433223DTXCID9085544688-934-06-Bromo-1-indanone6-Bromoindanone6-bromo-2,3-dihydroinden-1-one6-bromoindan-1-one6-Bromo-indan-1-one
名称をさらに表示
6-ブロモ-1-インダノン 臭化物6-ブロモ-1-インダノン6-ブロモ-1-インダノン, 97%6-BROMO INDANONE6-broindone6-BroMoindaonoe6-bromofluorenone6-Bromo-1-indanone>
MFCD021792861H-Inden-1-one, 6-bromo-2,3-dihydro-B3711EN300-839756-Bromo-2,3-dihydroinden-1-one;6-Bromo-1-indanoneF2189-00556-bromo-indanone6-Bromo-2,3-dihydro-1H-inden-1-one; 6-Bromo-2,3-dihydro-1H-inden-1-one;

データベース識別子

CAS
14548-39-1
PubChem CID
139778
DTXSID
DTXSID50163053
EC Number
688-934-0
Nikkaji
J618.939C

物性

構造計算による物性

XLogP
2.4
極性表面積
17.1 Ų
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
0
重原子数
11

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

物理化学的性質

融点
111 · 111-115 °C(lit.)
沸点
291.6 · 291.6±29.0 °C(Predicted)
比重(密度)
1.608 · 1.608±0.06 g/cm3(Predicted)
貯蔵温度
Inert atmosphere,Room Temperature
外見
結晶性粉末または針
色
白から黄色
化学的性質 · 1 件

化学的特性6-Bromoindanone, also known as 6-bromo-1-indanone, is a white to yellow crystalline powder or needle-like solid with a specific chemical structure comprising an indanone ring system substituted with a bromine atom. Its maximum absorption wavelength (λmax) in ethanol is 302 nm.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (37.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 8 reports by companies from 6 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. 3 (37.5%)

安全データ

wgk
3
hs_code
29147000
safety_code
24/25
ストレージクラス
13 - Non Combustible Solids

化学と産業

応用分野

使用6-Bromo-1-indanone is used as an organic chemical synthesis intermediate.

調製方法 · 1 件

製造方法Synthesis of 6-Bromoindanone: Trifluoromethanesulfonic acid (0.35 mL, 4 mmol) was added to a solution of the amide substrate 3-(4-Bromophenyl)-N-(4-nitrophenyl)propanamide (6) (1 mmol) in anhydrous CHCl₃ or CH₂Cl₂ (2 mL). The mixture was stirred for 4 h and then poured into ice. The product was extracted with CHCl₃, and the organic layer was washed with H₂O and brine, then dried over anhydrous sodium sulfate. The crude product was isolated and purified by column chromatography (hexane:ethyl acetate).Recovery of nitro-substituted aniline: The aqueous layer was made basic by the addition of 10 M NaOH, and the solution was extracted with CHCl₃. The organic layer was washed with H₂O and brine (2×), then dried over anhydrous sodium sulfate to yield 6-bromoindanone in 88% yield[1].

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関連反応

97 件

化合物ノート

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