CAS 128143-89-5 4'-Chloro-2,2':6',2''-terpyridine (HCID 667748)

名称と識別子

優先名称: 4'-Chloro-2,2':6',2''-terpyridine
IUPAC: 4-chloro-2,6-dipyridin-2-ylpyridine
現地名: 4'-クロロ-2,2':6',2''-テルピリジン
英語名: 4'-Chloro-2,2':6',2''-terpyridine
分子式: C15H10ClN3
分子量: 267.71

名称と別名

4'-Chloro-2,2':6',2''-terpyridine128143-89-5DTXSID00349885RefChem:95944DTXCID40300955626-940-74-chloro-2,6-dipyridin-2-ylpyridineMFCD001919302,2':6',2''-Terpyridine, 4'-chloro-4'-chloro-2,2';6',2''-terpyridineCHEMBL22058054/'-Chloro-2,2/':6/',2/'/'-terpyridine

名称をさらに表示

4'-クロロ-2,2':6',2''-テルピリジン4'-クロロ-α,α',α''-トリピリジル4′‐クロロ‐2,2′:6′,2′′‐テルピリジン4′-クロロ-2,2′:6′,2″-テルピリジン4'-クロロ-2,2':6',2''-テルピリジン, 98%4-クロロ-2,6-ジ(2-ピリジル)ピリジン4-クロロ-6-(ピリジン-2-イル)-2,2'-ビピリジン4-クロロ-2,6-ビス(2-ピリジル)ピリジン4-クロロ-2,6-ジ(2-ピリジニル)ピリジン4′-クロロ-2,2′:6′,2′′-テルピリジン4-クロロ-2,6-ビス(2-ピリジニル)ピリジン2,2′:6′,2′′-テルピリジン-4′-イルクロリドDK73654-Chloro-tetrapyridine4'-Chloro-α,α',α''-tripyridy4'-Chloro-α,α',α''-tripyridyl4'-CHLORO-2,2'6'2''-TERPYRIDINE2,2':6',2''-Terpyridine,4'-chloro-4'-Chloro-2,2,2':6',2''-terpyridine4'-Chloro-2,2':6',2"-terpyridine-98%4-Chloro-2,6-di(pyridin-2-yl)pyridine

4-chloro-2,6-di(2-pyridyl)pyridineAMS_CNC_ID-1109810574'-chloro-2,2':6',2''-terpy-ridine4'-Chloro-2,2':6',2"-terpyridineYSWG8114-Chloro-2,2:6,2-Terpyridine4-CHLORO-6-(PYRIDIN-2-YL)-2,2'-BIPYRIDINESCHEMBL517337

データベース識別子

CAS: 128143-89-5
PubChem CID: 667748
DTXSID: DTXSID00349885
ChEMBL: CHEMBL2205805
EC Number: 626-940-7
Nikkaji: J1.085.639F

物性

構造計算による物性

XLogP: 3
極性表面積: 38.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 19
形式電荷: 0
複雑度: 261

物理化学的性質

融点: 148 · 148-150 °C(lit.)
沸点: 416.73 °C · 416.73°C (rough estimate)
比重(密度): 1.2245 · 1.2245 (rough estimate)
屈折率: 1.601 · 1.6010 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: 結晶性粉末
酸解離定数(Pka): 4.22 · 4.22±0.22(Predicted)
色: 茶色
水溶解度: 水にわずかに溶ける。
BRN: 3613386 · 3613386
InChI: InChI=1S/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H
InChIKey: AHEMFMCEBIJRMU-UHFFFAOYSA-N
SMILES: C1(C2=NC(C3=NC=CC=C3)=CC(Cl)=C2)=NC=CC=C1

化学的性質

化学的特性brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (85.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (85.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (14.9%): 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, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, 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

Hazard Classes and CategoriesAcute Tox. 3 (85.1%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (85.1%)；Eye Irrit. 2 (14.9%)；STOT SE 3 (97.9%)

安全データ

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 29333990
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 2 件

使用4'-Chloro-2,2':6',2''-terpyridine is widely utilized in the field of supramolecular chemistry, which is used to manufacture double helicates, dendrimers, micelles and metallo-supramolecular polymers. It is used to synthesize the mono- and bis-terpyridines. It is actively involved in Williamson type ether reactions alpha,μ-bishydroxy-functionalized poly(propylene oxide).

一般的な説明4′-Chloro-2,2′:6′,2′′-terpyridine (4′-Cltpy, Cltpy, Cl-terpy) is a tridentate ligand that contains a terpyridine (tpy) site with a Cl site at the 4 -position. It coordinates with various metal ions through these two sites to form different coordination polymers. Crystal structure study shows terpyridine unit of Cltpy adopts a trans, trans conformation. Mol-ecules assemble themselves into stacked columns along the b axis, with an inter-planar distance of 3.51. It undergoes Williamson type ether reactions with α,ω-bishydroxy-functionalized poly(propylene oxide). It undergoes Williamson type reaction with α-hydroxy-ω-carboxy-functionalized poly(ethylen-oxide) to afford monoterpyridine terminated telechelics.