7-Quinolinecarboxaldehyde

HCID 4712255CAS 49573-30-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=Cc1ccc2cccnc2c1
InChIKey: WINWAFCAQPFBQA-UHFFFAOYSA-N
Summenformel: C10H7NO
Durchschnittliche Molmasse: 157,17 g/mol
Monoisotopische Masse: 157,05276385

Namen und Bezeichner

Bevorzugter Name: 7-Quinolinecarboxaldehyde
IUPAC: quinoline-7-carbaldehyde
Englischer Name: Quinoline-7-carbaldehyde
Summenformel: C10H7NO
Molmasse: 157.17

Namen und Synonyme

7-QuinolinecarboxaldehydeRefChem:547041678-473-3quinoline-7-carbaldehyde49573-30-07-FormylquinolineMFCD01366121DTXSID30405701STK397459CS-W010914AS-30662SY050688

Weitere Namen anzeigen

Albb-005311AKOS B029383AKOS AUF01715AKOS BBS-00005340RARECHEM AK ML 05617-quinoline formaldehyde

Q0067EN300-669487-QUINOLINECARBALDEHYDEQUINOLINE-7-CARBOXALDEHYDEFT-0649348SCHEMBL401692SCHEMBL2012058SCHEMBL5748280

Datenbank-Bezeichner

CAS: 49573-30-0
PubChem CID: 4712255
DTXSID: DTXSID30405701
EC Number: 678-473-3
Nikkaji: J1.446.493J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 169

Physikochemische Eigenschaften

Schmelzpunkt: 85 to · 85.0 to 88.0 °C
Siedepunkt: 314.3 · 314.3±15.0 °C(Predicted)
Dichte: 1.223 · 1.223±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in Toluene
Aggregatzustand: powder to crystal
pka: 3.06 · 3.06±0.14(Predicted)
Farbe: White to Light yellow
InChI: InChI=1S/C10H7NO/c12-7-8-3-4-9-2-1-5-11-10(9)6-8/h1-7H
InChIKey: WINWAFCAQPFBQA-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C(C=O)C=2)C=CC=1
CAS Datenbank: 49573 · 49573-30-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 reports by companies from 3 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 CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2 (100%)；STOT SE 3 (33.3%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 29334900
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden7-Quinolinecarbaldehyde is a reagent used in pharmaceutical synthesis, including Hepatitis C NS5A inhibitors as well as antitumor agents and benzothiazole Schiff bases.