2-ブロモ-1-インダノン臭化物

2-Bromo-1-indanone

HCID 137203CAS 1775-27-5

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1c2ccccc2CC1Br
InChIKey: UXVCSPSWUNMPMT-UHFFFAOYSA-N
分子式: C9H7BrO
平均分子量: 211.05 g/mol
単同位体質量: 209.96803

名称と識別子

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

名称と別名

2-Bromo-1-indanone1775-27-5RefChem:85626627-652-4UXVCSPSWUNMPMT-UHFFFAOYSA-N2-Bromoindan-1-one2-Bromoindanone2-bromo-2,3-dihydroinden-1-one2-bromo-2,3-dihydro-1H-inden-1-one1H-Inden-1-one, 2-bromo-2,3-dihydro-MFCD000410301175-27-5

名称をさらに表示

2-ブロモ-1-インダノン臭化物2-ブロモ-1-インダノン2-ブロモ-1-インダノン, TECH2-ブロモインダン-1-オン2-ブロモ-1-インダノン, tech. 85%6-Bromindan-1-on2-Bromo-1-indanone 90%2-Bromo-1-indanone ,85%2-BROMO-1-INDANONE: TECH.2-Bromo-1-indanone ,tech.2-Bromoindanone, tech., 90%2-BroMo-1-indanone, tech., 8

bromoindanone2-bromo indanone2-bromo-indan-1-one2-Bromo-1-indanone, 90%SCHEMBL296403SCHEMBL27490753SCHEMBL29752636DTXSID00938935

データベース識別子

CAS: 1775-27-5
PubChem CID: 137203
DTXSID: DTXSID00938935
EC Number: 627-652-4
Nikkaji: J954.256F

物性

構造計算による物性

XLogP: 2.6
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: 0
重原子数: 11
形式電荷: 0
複雑度: 178

物理化学的性質

融点: 33 · 33-38 °C (lit.)
沸点: 110 · 110-112 °C/0.4 mmHg (lit.)
比重(密度): 1.427 · 1.4270 (rough estimate)
屈折率: 1.572 · 1.5720 (estimate)
闪点: 110 · 110-112°C/0.4mm
貯蔵温度: 2 · Storage temp. 2-8°C
BRN: 637789 · 637789
InChI: 1S/C9H7BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8H,5H2
InChIKey: UXVCSPSWUNMPMT-UHFFFAOYSA-N
SMILES: BrC1Cc2ccccc2C1=O
CAS データベース: 1775 · 1775-27-5(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (90.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.；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 CategoriesSkin Corr. 1B (90.7%)

安全データ

wgk: 3
ridadr: UN 1759
hs_code: 29147000
risk_code: 36/37/38-34
hazard_code: C
safety_code: 24/25-36/37/39-27-26
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

使用2-Bromo-1-indanone may be used in the preparation of trans-2-benzal-1-indanone epoxide via Darzens-type condensation with benzaldehyde. It may also be employed as substrate to investigate the substrate specificity of recombinant β-keto ester reductase (KER) of Penicillium citrinum.

一般的な説明2-Bromo-1-indanone is a halogenated indanone. It can be obtained via bromination of 1-indanone.