Chinolin-2-carbonitril

Quinoline-2-carbonitrile

HCID 74031CAS 1436-43-7

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Grundinformationen

Standard-SMILES: N#Cc1ccc2ccccc2n1
InChIKey: WDXARTMCIRVMAE-UHFFFAOYSA-N
Summenformel: C10H6N2
Durchschnittliche Molmasse: 154,17 g/mol
Monoisotopische Masse: 154,05309819

Namen und Bezeichner

Bevorzugter Name: Quinoline-2-carbonitrile
IUPAC: quinoline-2-carbonitrile
Lokaler Name: Chinolin-2-carbonitril
Englischer Name: Quinoline-2-carbonitrile
Summenformel: C10H6N2
Molmasse: 154.17

Namen und Synonyme

Quinoline-2-carbonitrile1436-43-72-QuinolinecarbonitrileEINECS 215-865-1DTXSID00162475RefChem:872027DTXCID7084966215-865-1Quinaldonitrile2-CYANOQUINOLINEMFCD00134341Quinolinecarbonitrile

Weitere Namen anzeigen

quinolin-2-carbonitrileQuinoline-2-CarbinitrileQuinoline-2-carbonitrile 97%2-Quinolinecarbonitrile ,97%QUINOLINE-2-CARBONITRILE ISO 9001：2015 REACH

2-cyano-quinolineSCHEMBL752262-Quinolinecarbonitrile, 97%PS-3663SY050270CS-0007614EU-0020129Q0099

Datenbank-Bezeichner

CAS: 1436-43-7、64850-00-6
PubChem CID: 74031
DTXSID: DTXSID00162475
EC Number: 215-865-1
Nikkaji: J45.083I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 203

Experimentelle und physikochemische Eigenschaften

LogP1.6

Physikochemische Eigenschaften

Schmelzpunkt: 93 · 93-95 °C (lit.)
Siedepunkt: 160 °C · 160°C 23mm
Dichte: 1.21 · 1.21
Brechungsindex: 1.482 · 1.4820 (estimate)
Flammpunkt: 160 °C/23mm · 160°C/23mm
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
pka: -0.56 · -0.56±0.40(Predicted)
Farbe: White to Orange to Green
Wasserlöslichkeit: Insoluble in water.
BRN: 115213 · 115213
InChI: 1S/C10H6N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H
InChIKey: WDXARTMCIRVMAE-UHFFFAOYSA-N
SMILES: N#Cc1ccc2ccccc2n1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 45 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 (100%)

Sicherheitsdaten

wgk: 3
ridadr: 3439
hs_code: 2933499090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenQuinoline-2-carbonitrile is used to produce quinoline-2-carboxylic acid amide. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.