2-(2-Pyridyl)benzimidazol

2-(2'-Pyridyl)benzimidazole

HCID 70821CAS 1137-68-4

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Grundinformationen

Standard-SMILES: c1ccc(-c2nc3ccccc3[nH]2)nc1
InChIKey: YNFBMDWHEHETJW-UHFFFAOYSA-N
Summenformel: C12H9N3
Durchschnittliche Molmasse: 195,22 g/mol
Monoisotopische Masse: 195,07964729

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2-(2'-Pyridyl)benzimidazole
IUPAC: 2-pyridin-2-yl-1H-benzimidazole
Lokaler Name: 2-(2-Pyridyl)benzimidazol
Englischer Name: 2-(2-PYRIDYL)BENZIMIDAZOLE
Summenformel: C12H9N3
Molmasse: 195.22

Namen und Synonyme

2-(2-Pyridyl)benzimidazole1137-68-42-(2'-Pyridyl)benzimidazoleDTXSID50150529RefChem:454425DTXCID1073020214-508-72-(pyridin-2-yl)-1H-benzo[d]imidazole2-pyridin-2-yl-1H-benzimidazole1H-Benzimidazole, 2-(2-pyridinyl)-MFCD000055862-Pyridin-2-yl-1H-benzoimidazole

Weitere Namen anzeigen

DK74332-(2-Pyridinyl)2-(2-Pyridyl)benzimidazole,99%2-(2-Pyridyl)benzimidazole >2-(2-PYRIDYL)-BENZIMIDAZOLE 99%

2-(pyridin-2-yl)-1H-1,3-benzodiazole2-(pyridin-2-yl)-1H-benzimidazole2-(2-Pyridyl)-1H-benzimidazoleNSC 32814NSC 110942AI-4-88CHEMBL72683Benzimidazole, 2-(2-pyridyl)-

Datenbank-Bezeichner

CAS: 1137-68-4
PubChem CID: 70821
DTXSID: DTXSID50150529
ChEMBL: CHEMBL72683
EC Number: 214-508-7
Nikkaji: J2.864.996G、J203.388G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 41,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 219

Experimentelle und physikochemische Eigenschaften

LogP2.5

Physikochemische Eigenschaften

Schmelzpunkt: 218 · 218-220 °C(lit.)
Siedepunkt: 321.89 °C · 321.89°C (rough estimate)
Dichte: 1.2142 · 1.2142 (rough estimate)
Brechungsindex: 1.699 · 1.6990 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Powder
pka: 1 · pK1:5.58(+1) (25°C,μ=0.16)
Farbe: Yellow to brown
Wasserlöslichkeit: Insoluble in water.
BRN: 151411 · 151411
InChI: InChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)
InChIKey: YNFBMDWHEHETJW-UHFFFAOYSA-N
SMILES: C1(C2=NC=CC=C2)NC2=CC=CC=C2N=1
CAS Datenbank: 1137 · 1137-68-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 1.6% (1 of 63) of reports.

Warning

H302 (96.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 63 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (96.8%)

Sicherheitsdaten

wgk: 3
hs_code: 29333999
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 24/25-26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-(2-Pyridyl)benzimidazole was used as a chelating fluorescent ligand in the synthesis of cobalt(II) complex. It was also used in the preparation of (H(2)L(1))(2)[Ru(III)Cl(4)(CH(3)CN)(2)](2)[Ru(IV)Cl(4)(CH(3)CN)(2)]·2Cl·6H(2)O complex.