8-Chinolylmethylether

8-Methoxyquinoline

HCID 70310CAS 938-33-0

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Grundinformationen

Standard-SMILES: COc1cccc2cccnc12
InChIKey: ZLKGGEBOALGXJZ-UHFFFAOYSA-N
Summenformel: C10H9NO
Durchschnittliche Molmasse: 159,18 g/mol
Monoisotopische Masse: 159,06841391

Namen und Bezeichner

Bevorzugter Name: 8-Methoxyquinoline
IUPAC: 8-methoxyquinoline
Lokaler Name: 8-Chinolylmethylether
Englischer Name: 8-Methoxyquinoline
Summenformel: C10H9NO
Molmasse: 159.18

Namen und Synonyme

8-Methoxyquinoline938-33-0Methyl 8-quinolyl etherCCRIS 7821EINECS 213-341-74Y56U1UNUJDTXSID00239656RefChem:548229DTXCID50162147213-341-7Quinoline, 8-methoxy-MFCD00957068

Weitere Namen anzeigen

methyl8-quinolylether8-Methoxyquinoline>Quinoline, 8-methoxy-8-Methoxyquinoline,96%8-METHOXYQUINOLINE ISO 9001：2015 REACH

SCHEMBL170428ZLKGGEBOALGXJZ-UHFFFAOYSA-F2179-0008CS-0043908M2718EN300-105698UNII-4Y56U1UNUJAMY23309

Datenbank-Bezeichner

CAS: 938-33-0
PubChem CID: 70310
DTXSID: DTXSID00239656
ChEMBL: CHEMBL300509
UNII: 4Y56U1UNUJ
EC Number: 213-341-7
Nikkaji: J112.929E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 22,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 149

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1524；259.8

Physikochemische Eigenschaften

Schmelzpunkt: 38 · 38-41℃
Siedepunkt: 282 °C · 282°C(lit.)
Dichte: 1.034 · 1.0340
Brechungsindex: 1.607 · 1.6070 (estimate)
storage temp.: 2 · 2-8°C
Aggregatzustand: powder to crystal
pka: 3.28 · 3.28±0.17(Predicted)
Farbe: White to Orange to Green
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C10H9NO/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
InChIKey: ZLKGGEBOALGXJZ-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2OC)C=CC=1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 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 CategoriesAcute Tox. 3 (33.3%)；Acute Tox. 4 (33.3%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)