2,2'-Bichinolyl

2,2'-Biquinoline

HCID 8412CAS 119-91-5

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Grundinformationen

Standard-SMILES: c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIKey: WPTCSQBWLUUYDV-UHFFFAOYSA-N
Summenformel: C18H12N2
Durchschnittliche Molmasse: 256,3 g/mol
Monoisotopische Masse: 256,10004838

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2,2'-Biquinoline
IUPAC: 2-quinolin-2-ylquinoline
Lokaler Name: 2,2'-Bichinolyl
Englischer Name: 2,2'-Biquinoline
Summenformel: C18H12N2
Molmasse: 256.3

Namen und Synonyme

2,2'-BIQUINOLINE119-91-5CuproineCuproin2,2'-Diquinolyl2,2'-Biquinolyl6RO6GA6RP3DTXSID8059500NSC-1533RefChem:440230DTXCID9033478204-357-5

Weitere Namen anzeigen

2,2-BIQUINOLINECUPROIN R. G.2,2'-BiquinoLA,A -DIQUINOLYLα,α'-Biquinolyl

2-quinolin-2-ylquinoline2,2'-Quinolyl2,2/'-BiquinolineMFCD000067402-(2-quinolyl)quinolineNSC 15332-(quinolin-2-yl)quinolineHMS3749A07

Datenbank-Bezeichner

CAS: 119-91-5
PubChem CID: 8412
DTXSID: DTXSID8059500
UNII: 6RO6GA6RP3
EC Number: 204-357-5
Nikkaji: J5.317A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,3
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 20
Formalladung: 0
Komplexität: 297

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Quinolines

SpringerMaterials PropertiesBoiling point

LogP4.31

Vapor Pressure0.00000002 [mmHg]

Physical DescriptionLight yellow powder; [Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 192 · 192-195 °C(lit.)
Siedepunkt: 389.54 °C · 389.54°C (rough estimate)
Dichte: 0.9734 · 0.9734 (rough estimate)
Brechungsindex: 1.63 · 1.6300 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: 1.02 mg/l · 1.02mg/l
Aggregatzustand: Shiny Flakes
pka: 2.19 · 2.19±0.61(Predicted)
Farbe: Slightly yellow to light beige
Wasserlöslichkeit: Sparingly soluble in water (0.001g/L).
BRN: 187259 · 187259
InChI: 1S/C18H12N2/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18/h1-12H
InChIKey: WPTCSQBWLUUYDV-UHFFFAOYSA-N
SMILES: c1ccc2nc(ccc2c1)-c3ccc4ccccc4n3
CAS Datenbank: 119 · 119-91-5(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,2'-Biquinoline(119-91-5)
EPA chemische Informationen: 2 · 2,2'-Biquinoline (119-91-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 6% (3 of 50) of reports.

Warning

H315 (94%): Causes skin irritation [Warning Skin corrosion/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 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 2,2'-Biquinoline

2,2'-Biquinoline: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [Aldrich MSDS] See Quinoline.

Hazard Classes and CategoriesSkin Irrit. 2 (94%)

Sicherheitsdaten

F: 8
wgk: 3
tsca: TSCA listed
hs_code: 29334990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2,2'-Biquinoline: ACTIVE

Anwendungen

Verwenden2,2'-Biquinoline is used as a reagent for spectrophotometric determination of Cu and as an indicator for titration of organolithium reagents, giving yellow-green charge-transfer complexes.