基本情報
- CAS
580-35-8- 標準SMILES
c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1- InChIKey
FRZHWQQBYDFNTH-UHFFFAOYSA-N- 分子式
- C23H17N
- 平均分子量
- 307.4 g/mol
- 単同位体質量
- 307.13609954
名称と識別子
- 優先名称
- 2,4,6-Triphenylpyridine
- IUPAC
- 2,4,6-triphenylpyridine
- 現地名
- 2,4,6-トリフェニルピリジン
- 英語名
- 2,4,6-Triphenylpyridine
- 分子式
- C23H17N
- 分子量
- 307.39
名称と別名
2,4,6-TriphenylpyridineRefChem:442984622-170-0580-35-8Pyridine, 2,4,6-triphenyl-MFCD00014630Pyridine,4,6-triphenyl-STK391423T3394EN300-18207989Z561742242,4,6-Triphenyl-pyridin
名称をさらに表示
2,4,6-トリフェニルピリジン(4-フェニルピリジン-2,6-ジイル)ビスベンゼンTIMTEC-BB SBB007852PYRIDINE,2,4,6-TRIPHENYL
2,6-Triphenylpyridine2,4,6-Triphenyl-pyridineNSC22452,4,6,-triphenylpyridine2.4.6-TRICHLORO-1.3.5-TRIPHENYLBORAZINECHEMBL27882SCHEMBL960513SCHEMBL7024221
データベース識別子
- CAS
580-35-8- PubChem CID
- 136370
- DTXSID
DTXSID30206730- ChEMBL
CHEMBL27882- EC Number
- 622-170-0
- Nikkaji
- J95.011D
物性
構造計算による物性
- XLogP
- 5.8
- 極性表面積
- 12.9 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
- 3
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 334
物理化学的性質
- 融点
- 139 to · 139.0 to 143.0 °C
- 沸点
- 220 · 220-230 °C(Press: 0.3 Torr)
- 比重(密度)
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 3.95 · 3.95±0.10(Predicted)
- 色
- White to Almost white
- InChI
- InChI=1S/C23H17N/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-17H
- InChIKey
- FRZHWQQBYDFNTH-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC=C2)=NC(C2=CC=CC=C2)=CC(C2=CC=CC=C2)=C1
安全と法規制
GHS分類
GHS Classification
Danger
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 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 (97.5%)
安全データ
- hs_code
- 2933.39.9200
化学と産業
応用分野
使用2,4,6-Triphenylpyridine is a pyridine compound that acts as a neutral leaving group in palladium(0)-catalysed nucleophilic allylation reactions. In addition, three novel conjugated polymers based on the 2,4,6-triphenylpyridine moiety can be synthesised via the palladium-catalysed Sonogashira coupling reaction. These three polymers, P-1, P-2 and P-3, all exhibit strong fluorescence emission, characterised by a large Stokes shift and high quantum yield.
上流・下流製品情報
上流原料
関連反応
3 件
化合物ノート
読み込み中…