9-ブロモ-10-フェニルアントラセン

9-Bromo-10-phenyl-anthracene

HCID 4155836CAS 23674-20-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Brc1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIKey: WHGGVVHVBFMGSG-UHFFFAOYSA-N
分子式: C20H13Br
平均分子量: 333.2 g/mol
単同位体質量: 332.02006252

名称と識別子

優先名称: 9-Bromo-10-phenyl-anthracene
IUPAC: 9-bromo-10-phenylanthracene
現地名: 9-ブロモ-10-フェニルアントラセン
英語名: 9-Bromo-10-phenylanthracene
分子式: C20H13Br
分子量: 333.22

名称と別名

9-bromo-10-phenyl-anthraceneRefChem:549246621-755-89-bromo-10-phenylanthracene23674-20-6Anthracene, 9-bromo-10-phenyl-10-bromo-9-phenylanthraceneMFCD00230983C20H13Br9-bromo10-phenylanthracene9-Phenyl-10-bromanthracen9-bromo-10-(phenyl)anthracene

名称をさらに表示

9-ブロモ-10-フェニルアントラセン9-Bromo-10-phenylAfatinib/Afatinib9-Bromo-10-phenylant9-bromo-10-phenylindole9-Bromo-1-phenylanthracene10-phenyl-9-BroMoanthracene9-bromo-10-phenylanthranceneAnthracene, 9-Bromo-10-phenyl

Anthracene, 9-Bromo-10-phenyl;9-Bromo-10-phenylanthraceneAMY8613SCHEMBL295397SCHEMBL2587092SCHEMBL27807385SCHEMBL30396122DTXSID60400022AKOS015912825

データベース識別子

CAS: 23674-20-6
PubChem CID: 4155836
DTXSID: DTXSID60400022
EC Number: 621-755-8
Nikkaji: J548.828A

物性

構造計算による物性

XLogP: 6.7
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 1
重原子数: 21
形式電荷: 0
複雑度: 322

実験および物理化学的性質

SpringerMaterials PropertiesAngular frequency

物理化学的性質

融点: 154 · 154-155 °C
沸点: 449.7 · 449.7±14.0 °C(Predicted)
比重(密度): 1.393 · 1.393
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム、メタノール（微量）
外見: 粉
色: ペールイエロー
水溶解度: 水に不溶。熱トルエン、ジメチルホルムアミドに可溶。
InChI: InChI=1S/C20H13Br/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H
InChIKey: WHGGVVHVBFMGSG-UHFFFAOYSA-N
SMILES: C1=C2C(C(C3=CC=CC=C3)=C3C(=C2Br)C=CC=C3)=CC=C1

化学的性質

化学的特性Pale yellow powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 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 (97.5%)

安全データ

hs_code: 29039990
safety_code: 24/25

化学と産業

応用分野 · 2 件

説明9-Bromo-10-phenylanthracene is a yellow-white solid powder that is commonly used as an organic synthesis intermediate.It is not soluble in water but can dissolve in dimethyl sulfoxide, N,N-dimethylformamide, and other polar solvents. It is also soluble in hot non-polar solvents due to its low polarity.

使用It is used as an OLED material.

調製方法 · 1 件

製造方法9-Phenylanthracene (2.5g, 9.83mmol) and NBS (2.1g, 11.8mmol) were dissolved in 80mL CHCl3. Then the mixture was heated to 60°C for 2h under N2. After cooled to room temperature, 20 mL water was added. And the mixture was extracted with CH2Cl2. The organic extracts were dried over anhydrous MgSO4 and concentrated by rotary evaporation.The crude product was recrystallized from methanol to get a green-yellow powder (2g, 61.2%). 1H NMR (500 MHz, CDCl3) δ 8.67 – 8.61 (m, 2H), 7.71 – 7.65 (m, 2H), 7.64 – 7.56 (m, 5H), 7.45 – 7.37 (m, 4H). EI-MS (m/z): Calculated for C20H13Br: 333.22. Found [M+]: 332.30. Synthesis of 9-bromo-10-phenylanthracene