2,4,5-トリフェニルイミダゾール

2,4,5-Triphenylimidazole

HCID 10232CAS 484-47-9

部分構造検索類似構造を探す

基本情報

標準SMILES: c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIKey: RNIPJYFZGXJSDD-UHFFFAOYSA-N
分子式: C21H16N2
平均分子量: 296.4 g/mol
単同位体質量: 296.13134852

名称と識別子

優先名称: 2,4,5-Triphenylimidazole
IUPAC: 2,4,5-triphenyl-1H-imidazole
現地名: 2,4,5-トリフェニルイミダゾール
英語名: 2,4,5-Triphenylimidazole
分子式: C21H16N2
分子量: 296.37

名称と別名

2,4,5-Triphenylimidazole484-47-9LophineIMIDAZOLE, 2,4,5-TRIPHENYL-Q6K46G80ZDNSC-62790DTXSID3022039RefChem:154070DTXCID702039207-606-62,4,5-Triphenyl-1H-imidazoleLophin

名称をさらに表示

2,4,5-トリフェニルイミダゾールロフィン2,4,5-トリフェニル-1H-イミダゾールOxaprozin Lophine2,4,5-triphenyl-imidazol2,4,5-triphenyl-1h-imidazol2,4,5-Triphenylimidazole,98%2,4,5-Trisphenyl-1H-imidazole1H-Imidazole,2,4,5-triphenyl-

1H-Imidazole, 2,4,5-triphenyl-2,4,5-Triphenyl-1,3-imidazoleC21H16N2MFCD00005187CHEMBL341732,5-TriphenylimidazoleImidazole,4,5-triphenyl-1H-Imidazole,4,5-triphenyl-

データベース識別子

CAS: 484-47-9
PubChem CID: 10232
DTXSID: DTXSID3022039
ChEMBL: CHEMBL34173
UNII: Q6K46G80ZD
EC Number: 207-606-6
Nikkaji: J1.549K

物性

構造計算による物性

XLogP: 5
極性表面積: 28.7 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 23
形式電荷: 0
複雑度: 351

物理化学的性質

融点: 274 · 274-278 °C (lit.)
沸点: 427.96 °C · 427.96°C (rough estimate)
比重(密度): 1.0874 · 1.0874 (rough estimate)
屈折率: 1.8 · 1.8000 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 11.66 · 11.66±0.10(Predicted)
外見: powder to crystal
色: White to Orange to Green
水溶解度: メタノールに可溶。水に不溶。
BRN: 236652 · 236652
InChI: InChI=1S/C21H16N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15H,(H,22,23)
InChIKey: RNIPJYFZGXJSDD-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)NC(C2=CC=CC=C2)=C(C2=CC=CC=C2)N=1
CAS データベース: 484 · 484-47-9(CAS DataBase Reference)
EPAの化学物質情報: 1 H-Imidazole, · 1H-Imidazole, 2,4,5-triphenyl- (484-47-9)

化学的性質

化学的特性OFF-WHITE POWDER

安全と法規制

安全データ

wgk: 3
tsca: TSCA listed
rtecs: NI8710000
hs_code: 29349990
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用2,4,5-Triphenylimidazole is used in the synthesis of fluorescent diarylethenes and nanowires of 2,4,5-triphenylimidazole, which finds application as single wire active optical waveguides and optically driven ultraviolet lasers.

調製方法 · 1 件

製造方法2,4,5-triphenylimidazole was synthesized by reaction between ammonia, benzaldehyde and benzoin: Benzoin (1) ( 5 g, 0.023 M) was reacted with benzaldehyde (5 mL, 0.05 mol) (2) in presence of ammonia (3) and refluxed for 4 h and the resulting mixture was cooled, filtered to get 2,4,5-triphenylimidazole (4).Synthesis of 2,4,5-Triphenylimidazoles Novel Mannich Bases as Potential Antiinflammatory and Analgesic AgentsDOI: 10.3923/crc.2012.99.109