4'-Chloro-2,2':6',2''-terpyridine (HCID 667748)

Namen und Bezeichner

Bevorzugter Name: 4'-Chloro-2,2':6',2''-terpyridine
IUPAC: 4-chloro-2,6-dipyridin-2-ylpyridine
Englischer Name: 4'-Chloro-2,2':6',2''-terpyridine
Summenformel: C15H10ClN3
Molmasse: 267.71

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 19
Formalladung: 0
Komplexität: 261

Physikochemische Eigenschaften

Schmelzpunkt: 148 · 148-150 °C(lit.)
Siedepunkt: 416.73 °C · 416.73°C (rough estimate)
Dichte: 1.2245 · 1.2245 (rough estimate)
Brechungsindex: 1.601 · 1.6010 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder
pka: 4.22 · 4.22±0.22(Predicted)
Farbe: Brown
Wasserlöslichkeit: Slightly soluble in water.
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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4'-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).