CAS 6918-15-6 Di-4-pyridinylmethanone (HCID 12288815)

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Grundinformationen

CAS: 6918-15-6
Standard-SMILES: O=C(c1ccncc1)c1ccncc1
InChIKey: CLAOXGJAXHTMPM-UHFFFAOYSA-N
Summenformel: C11H8N2O
Durchschnittliche Molmasse: 184,19 g/mol
Monoisotopische Masse: 184,06366288

Namen und Bezeichner

Bevorzugter Name: Di-4-pyridinylmethanone
IUPAC: dipyridin-4-ylmethanone
Englischer Name: dipyridin-4-ylmethanone(SALTDATA: FREE)
Summenformel: C11H8N2O
Molmasse: 184.19

Namen und Synonyme

Di-4-pyridinylmethanoneRefChem:586009960-725-1Di(pyridin-4-yl)methanone6918-15-6Dipyridin-4-ylmethanone4-(PYRIDINE-4-CARBONYL)PYRIDINEMFCD00832238Di(4-pyridinyl)methanonedi-(4-pyridyl)ketoneSCHEMBL725064Dipyridin-4-ylmethanone, >=95%

Weitere Namen anzeigen

dipyridine-4-methyloneMethanone, di-4-pyridinyl-Dipyridin-4-ylmethanone >=95%dipyridin-4-ylmethanone(SALTDATA: FREE)

AKOS006343467AS-58636bis(4-pyridyl)methanone4-pyridyl ketoneA903017DTXSID204847DTXSID20484767CLAOXGJAXHTMPM-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 6918-15-6
PubChem CID: 12288815
DTXSID: DTXSID20484767
EC Number: 960-725-1
Nikkaji: J1.012.041A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 42,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 173

Physikochemische Eigenschaften

Schmelzpunkt: 142 °C · 142°C
Siedepunkt: 346.4 · 346.4±17.0 °C(Predicted)
Dichte: 1.196 · 1.196±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 2.17 · 2.17±0.10(Predicted)
Aggregatzustand: powder or crystals
InChI: 1S/C11H8N2O/c14-11(9-1-5-12-6-2-9)10-3-7-13-8-4-10/h1-8H
InChIKey: CLAOXGJAXHTMPM-UHFFFAOYSA-N
SMILES: O=C(C1=CC=NC=C1)C2=CC=NC=C2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Sicherheitsdaten

wgk: WGK 3
risk_code: 22
hazard_code: Xn
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen

VerwendenDipyridin-4-ylmethanone may be used as a precursor to synthesize photoresponsive ligands such as diazodi(4-pyridyl)methane, which can be used in metal-carbene hetero-spin systems. This same product was previously listed as CBR00084.