基本情報
- CAS
3319-99-1- 標準SMILES
c1ccc(-c2cccs2)nc1- InChIKey
QLPKTAFPRRIFQX-UHFFFAOYSA-N- 分子式
- C9H7NS
- 平均分子量
- 161.23 g/mol
- 単同位体質量
- 161.0299204
名称と識別子
- 優先名称
- 2-(2'-Thienyl)pyridine
- IUPAC
- 2-thiophen-2-ylpyridine
- 現地名
- 2-(2-チエニル)ピリジン
- 英語名
- 2-(2-THIENYL)PYRIDINE
- 分子式
- C9H7NS
- 分子量
- 161.22
名称と別名
2-(2'-Thienyl)pyridineRefChem:4544602-(Thiophen-2-yl)pyridine2-(2-Thienyl)pyridine3319-99-12-thien-2-ylpyridine2-thiophen-2-ylpyridine2-(2-Pyridyl)thiophene2-thiophen-2-yl-pyridineMFCD00044441Pyridine, 2-(2-thienyl)-2-(thien-2-yl)pyridine
名称をさらに表示
2-(2-ピリジニル)チオフェン2-(2-チエニル)ピリジン2-(2-ピリジル)チオフェン2-チエン-2-イルピリジン2-(チオフェン-2-イル)ピリジンAKOS BAR-1355BUTTPARK 37\04-102-(2-Thienyl)pyridin2'-(2-thienyl)pyridine2-(2-Pyridinyl)thiophene
thienyl pyridine2-thienylpyridineEINECS 222-022-12-Pyrid-2-ylthiopheneSCHEMBL36011MLS000861939SCHEMBL295633SCHEMBL1201661
データベース識別子
- CAS
3319-99-1- PubChem CID
- 76832
- DTXSID
DTXSID90186842- ChEMBL
CHEMBL1883714- EC Number
- 222-022-1
- Nikkaji
- J150.008B
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 41.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 127
実験および物理化学的性質
Solubility1.9 [ug/mL] (The mean of the results at pH 7.4)
物理化学的性質
- 融点
- 61 · 61-63°C
- 沸点
- 140 °C/16mmHg · 140°C/16mmHg(lit.)
- 比重(密度)
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解性
- soluble in Methanol
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 4.51 · 4.51±0.10(Predicted)
- 色
- Light orange to Yellow to Green
- BRN
- 508454 · 508454
- InChI
- InChI=1S/C9H7NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h1-7H
- InChIKey
- QLPKTAFPRRIFQX-UHFFFAOYSA-N
- SMILES
- C1(C2SC=CC=2)=NC=CC=C1
- LogP
- 2.702 · 2.702 (est)
- CAS データベース
- 3319 · 3319-99-1(CAS DataBase Reference)
化学的性質
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Regulatory Information2-(2-Thienyl)pyridine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.9%)
法規制情報
Regulatory Information2-(2-Thienyl)pyridine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
安全データ
- hs_code
- 29349990
化学と産業
応用分野
用途有機合成原料。
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司
関連反応
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化合物ノート
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